diff --git a/Cantera/matlab/setup_winmatlab.py b/Cantera/matlab/setup_winmatlab.py index 5c73957f7..5026808ec 100644 --- a/Cantera/matlab/setup_winmatlab.py +++ b/Cantera/matlab/setup_winmatlab.py @@ -2,26 +2,36 @@ import sys bindir = '/usr/local/bin' -libdir = '/Users/dgg/dv/sf/cantera/build/lib/powerpc-apple-darwin7.3.0' +libdir = '/Users/dgg/dv/sf/cantera/build/lib/powerpc-apple-darwin7.4.0' incdir = '/Users/dgg/dv/sf/cantera/build/include' -libs = '-lclib -luser -loneD -lzeroD -ltransport -lcantera -lrecipes -lcvode -lctlapack -lctmath -lctblas -ltpx -lg2c -lgcc' +dflibdir = '' + +libs = ['clib', 'oneD', 'zeroD', 'transport', 'cantera', 'recipes', + 'cvode', 'ctlapack', 'ctmath', 'ctblas', 'tpx'] f = open('setup.m','w') -f.write('cd cantera\nbuildux\nexit\n') +f.write('cd cantera\nbuild_cantera\nexit\n') f.close() -fb = open('cantera/buildux.m','w') +fb = open('cantera/build_cantera.m','w') fb.write(""" disp('building Cantera..'); -mex private/ctmethods.cpp private/ctfunctions.cpp ... +mex -I"""+incdir+""" private/ctmethods.cpp private/ctfunctions.cpp ... private/xmlmethods.cpp private/phasemethods.cpp ... private/thermomethods.cpp private/kineticsmethods.cpp ... private/transportmethods.cpp private/reactormethods.cpp ... + private/reactornetmethods.cpp ... private/wallmethods.cpp private/flowdevicemethods.cpp ... - private/funcmethods.cpp ... + private/funcmethods.cpp ... private/onedimmethods.cpp private/surfmethods.cpp private/write.cpp ... -"""+'-I'+incdir+' -L'+libdir+' '+libs+'\n'+"""disp('done.'); """) +s = '' +for lib in libs: + s += ' '+libdir+'/'+lib+'.lib ...\n' +fb.write(s) +fb.write(' "'+dflibdir+'/dformd.lib" ...\n') +fb.write(' "'+dflibdir+'/dfconsol.lib" ...\n') +fb.write(' "'+dflibdir+'/dfport.lib" \n') fb.close() fp = open('cantera/ctbin.m','w') diff --git a/Cantera/python/Cantera/DustyGasTransport.py b/Cantera/python/Cantera/DustyGasTransport.py index 8637adb15..a7572eaca 100644 --- a/Cantera/python/Cantera/DustyGasTransport.py +++ b/Cantera/python/Cantera/DustyGasTransport.py @@ -6,47 +6,60 @@ Dusty Gas model for transport in porous media. from Cantera.Transport import Transport class DustyGasTransport(Transport): + """The Dusty Gas transport model. This class implements a + transport manager for the Dusty Gas model for the effective + transport properties of a gas in a stationary, solid, porous + medium. The only properties computed are the multicomponent + diffusion coefficients. The model does not compute viscosity or + thermal conductivity. + + This class is a Python shadow class for Cantera C++ class + DustyGasTransport. + """ + + def __init__(self, phase = None): + """ + phase - The object representing the gas phase within the + pores. + """ Transport.__init__(self, model = "DustyGas", phase = phase) def setPorosity(self, porosity): - """Set the porosity.""" + """Set the porosity. Internal. See: set""" self.setParameters(0, 0, [porosity, 0.0]) def setTortuosity(self, tortuosity): - """Set the tortuosity.""" + """Set the tortuosity. Internal. See: set""" self.setParameters(1, 0, [tortuosity, 0.0]) def setMeanPoreRadius(self, pore_radius): - """Set the mean pore radius.""" + """Set the mean pore radius [m]. Internal. See: set""" self.setParameters(2, 0, [pore_radius, 0.0]) def setMeanParticleDiameter(self, diameter): - """Set the mean particle diameter.""" + """Set the mean particle diameter [m]. Internal. See: set""" self.setParameters(3, 0, [diameter, 0.0]) def setPermeability(self, permeability): """Set the permeability. If not called, the value for close-packed - spheres is used.""" + spheres is used. Internal.""" self.setParameters(4, 0, [permeability, 0.0]) -## def molarFluxes(self, -## conc = None, -## gradConc = None, -## gradPressure = 0.0): -## self.setConcentrations(concentrations) def set(self, **p): """Set model parameters. This is a convenience method that simply calls other methods depending on the keyword. - Keywords: + porosity - Porosity. Volume fraction of pores. + + tortuosity - Tortuosity. A measure of the extent to which the + pores are straight cylinders (tortuosity = 1), or are more + tortuous. + + pore_radius - The pore radius [m]. - - porosity - - tortuosity - - pore_radius - - diameter - - permeability + All keywords are optional. """ for o in p.keys(): if o == "porosity": diff --git a/Cantera/python/Cantera/Func.py b/Cantera/python/Cantera/Func.py index 3f5f098d0..ab6b2f093 100644 --- a/Cantera/python/Cantera/Func.py +++ b/Cantera/python/Cantera/Func.py @@ -13,19 +13,30 @@ import types class Func1: - """A class for functors of one variable. + """Functors of one variable. A Functor is an object that behaves like a function. Class 'Func1' is the base class from which several functor classes derive. These - classes are designed to be used with the Cantera kernel. """ + classes are designed to allow specifying functions of time from Python + that can be used by the C++ kernel. + + Functors can be added, multiplied, and divided to yield new functors. + >>> f1 = Polynomial([1.0, 0.0, 3.0]) # 3*t*t + 1 + >>> f1(2.0) + ___13 + >>> f2 = Polynomial([-1.0, 2.0]) # 2*t - 1 + >>> f2(2.0) + ___5 + >>> f3 = f1/f2 # (3*t*t + 1)/(2*t - 1) + >>> f3(2.0) + ___4.3333333 + """ def __init__(self, typ, n, coeffs=[]): """ - typ - functor type - - n - order - - coeffs - coefficient array + The constructor is meant to be called from constructors of + subclasses of Func1. + See: Polynomial, Gaussian, Arrhenius, Fourier, Const, PeriodicFunction """ self.n = n self.coeffs = asarray(coeffs,'d') @@ -80,7 +91,7 @@ class Func1: return RatioFunction(other, self) def func_id(self): - """Return the integer index used internally to access the + """Internal. Return the integer index used internally to access the kernel-level object.""" return self._func_id @@ -109,20 +120,22 @@ class Gaussian(Func1): \f] where \f[ - \tau = \frac{\mbox{FWHM}}{2.0\sqrt{\log(2.0)}} + \tau = \frac{\mbox{FWHM}}{2.0\sqrt{\ln(2.0)}} \f] - Here FWHM denotes the full width at half maximum. + 'FWHM' denotes the full width at half maximum. + + As an example, here is how to create + a Gaussian pulse with peak amplitude 10.0, centered at time 2.0, + with full-width at half max = 0.2: + >>> f = Gaussian(A = 10.0, t0 = 2.0, FWHM = 0.2) + >>> f(2.0) + ___10 + >>> f(1.9) + ___5 + >>> f(2.1) + ___5 """ - def __init__(self, A = 0.0, t0 = 0.0, FWHM = 1.0): - """ - - A - Peak value. - - t0 - time at which pulse is centered. - - FWHM - full width at half-maximum. - - """ + def __init__(self, A, t0, FWHM): coeffs = array([A, t0, FWHM], 'd') Func1.__init__(self, 4, 0, coeffs) @@ -134,17 +147,22 @@ class Fourier(Func1): \f] where \f[ - a_n = \int_{-\pi/\omega}^{\pi/\omega} f(t) \cos(n \omega t) dt + a_n = \frac{\omega}{\pi} + \int_{-\pi/\omega}^{\pi/\omega} f(t) \cos(n \omega t) dt \f] and \f[ - b_n = \int_{-\pi/\omega}^{\pi/\omega} f(t) \sin(n \omega t) dt. + b_n = \frac{\omega}{\pi} + \int_{-\pi/\omega}^{\pi/\omega} f(t) \sin(n \omega t) dt. \f] - The function \f$ f(t) \f$ must be periodic, with period \f$ T = 2\pi/\omega \f$. + The function \f$ f(t) \f$ is periodic, with period \f$ T = 2\pi/\omega \f$. + + As an example, a function with Fourier components up to the second harmonic + is constructed as follows: >>> coeffs = [(a0, b0), (a1, b1), (a2, b2)] >>> f = Fourier(omega, coeffs) - Note that b0 must be specified, but is not - used. The value of b0 is arbitrary. + Note that 'b0' must be specified, but is not + used. The value of 'b0' is arbitrary. """ def __init__(self, omega, coefficients): """ @@ -164,8 +182,9 @@ class Fourier(Func1): class Arrhenius(Func1): """Sum of modified Arrhenius terms. Instances of class 'Arrhenius' evaluate \f[ - f(T) = \sum_{i=1}^n A_n T^{b_n}\exp(-E_n/T) + f(T) = \sum_{n=1}^N A_n T^{b_n}\exp(-E_n/T) \f] + Example: >>> f = Arrhenius([(a0, b0, e0), (a1, b1, e1)]) @@ -186,7 +205,16 @@ class Arrhenius(Func1): def Const(value): """Constant function. - >>> f = Const(4.0) # evaluates f(t) = 4.0. + Objects created by function Const + act as functions that have a constant value. + These are used internally whenever a statement like + >>> f = Gausian(2.0, 1.0, 0.1) + 4.0 + is encountered. The addition operator of class Func1 is defined + so that this is equivalent to + >>> f = SumFunction(Gaussian(2.0, 1.0, 0.1), Const(4.0)) + + Function Const returns instances of class Polynomial that have + degree zero, with the constant term set to the desired value. """ return Polynomial([value]) diff --git a/Cantera/python/Cantera/Interface.py b/Cantera/python/Cantera/Interface.py index 798ee4c8a..447b19cf0 100644 --- a/Cantera/python/Cantera/Interface.py +++ b/Cantera/python/Cantera/Interface.py @@ -8,7 +8,6 @@ from Kinetics import Kinetics import XML __revision__ = "$Id$" -__log__ = "$Log: " class Interface(SurfacePhase, Kinetics): """ @@ -27,7 +26,7 @@ class Interface(SurfacePhase, Kinetics): def __init__(self, src="", root=None, phases=[]): """ src - CTML or CTI input file name. If more than one phase is - defined in the file, src should be specified as '#' + defined in the file, src should be specified as 'filename\#id' If the file is not CTML, it will be run through the CTI -> CTML preprocessor first. diff --git a/Cantera/python/Cantera/Phase.py b/Cantera/python/Cantera/Phase.py index e15532e88..3f485567f 100755 --- a/Cantera/python/Cantera/Phase.py +++ b/Cantera/python/Cantera/Phase.py @@ -14,24 +14,25 @@ __revision__ = "$Id$" class Phase: - """Class Phase manages basic state and constituent property - information for a homogeneous phase of matter. It does not contain - information on the equation of state, homogeneous kinetics, or - transport properties -- these attributes of the phase are the - responsibility of other classes (see the ThermoPhase, Kinetics, and - Transport classes). + """Phases of matter. - In the C++ kernel, class Phase is only a base class for - ThermoPhase. This structure is maintained in the Python wrapper - class. Class Phase implements methods of the C++ Phase class, but - the instance is actually a 'ThermoPhase' object. Also, in C++ - class Phase is itself derived from more elementary classes (State - and Constituents), but these are not exposed in Python. + Class Phase manages basic state and constituent property + information for a homogeneous phase of matter. It handles only + those properties that do not require the equation of state, namely + the temperature, density, chemical composition, and attributes of + the elements and species. + It does not know about the pressure, or any other thermodynamic property + requiring the equation of state -- class ThermoPhase derives from Phase + and adds those properties. + + Class Phase is not usually instantiated directly. It is used as a + base class for class ThermoPhase. + """ - def __init__(self, index = -1): - pass + #def __init__(self, index = -1): + # pass def phase_id(self): """The integer index used to access the kernel-level object. diff --git a/Cantera/python/Cantera/Reactor.py b/Cantera/python/Cantera/Reactor.py index d8125f543..ae660979c 100644 --- a/Cantera/python/Cantera/Reactor.py +++ b/Cantera/python/Cantera/Reactor.py @@ -8,16 +8,27 @@ import types class ReactorBase: - """Base class for reactors.""" + """Base class for reactors and reservoirs. + + Classes Reactor and Reservoir derive from a common base class + ReactorBase. They have the same set of methods, which are all + inherited from ReactorBase. + + (This is not quite true in the corresponding classes in the + Cantera C++ kernel. There class Reactor defines some methods that + class Reservoir doesn't. These are used internally by the + ReactorNet instance that integrates the system of ODEs describing + the network to evaluate the portion of the ODE system associated + with that reactor.) + """ def __init__(self, name = '', contents = None, volume = 1.0, energy = 'on', type = -1, verbose = 0): """ - Create a new ReactorBase instance. If 'contents' is specified, - method 'insert' is invoked. The 'type' parameter determines - the type of C++ Reactor object that is instantiated (1 = Reactor, - 2 = Reservoir). + See class 'Reactor' for a description of the constructor parameters. + The 'type' parameter specifies whether a Reactor (type = 1) or + Reservoir (type = 2) will be created. """ self.__reactor_id = _cantera.reactor_new(type) self._type = type @@ -60,12 +71,12 @@ class ReactorBase: return s def name(self): - """The name of the reactor specified when it was constructed.""" + """The name of the reactor.""" return self._name def reactor_id(self): """The integer index used to access the kernel reactor - object. For internal use. """ + object. For internal use.""" return self.__reactor_id def insert(self, contents): @@ -73,17 +84,19 @@ class ReactorBase: Insert 'contents' into the reactor. Sets the objects used to compute thermodynamic properties and kinetic rates. """ + # store a reference to contents so that it will live as long + # as this object self._contents = contents if contents: _cantera.reactor_setThermoMgr(self.__reactor_id, contents._phase_id) _cantera.reactor_setKineticsMgr(self.__reactor_id, contents.ckin) - def setInitialTime(self, T0): - """Deprecated. - Set the initial time. Restarts integration from this time - using the current state as the initial condition. Default: 0.0 s""" - _cantera.reactor_setInitialTime(self.__reactor_id, T0) +## def setInitialTime(self, T0): +## """Deprecated. +## Set the initial time. Restarts integration from this time +## using the current state as the initial condition. Default: 0.0 s""" +## _cantera.reactor_setInitialTime(self.__reactor_id, T0) def _setInitialVolume(self, V0): """Set the initial reactor volume. """ @@ -155,7 +168,9 @@ class ReactorBase: """The mass fraction of species s, specified either by name or index number. >>> y1 = r.massFraction(7) + ___0.02 >>> y2 = r.massFraction('CH3O') + ___0.02 """ if type(s) == types.StringType: kk = self._contents.speciesIndex(s) @@ -180,8 +195,10 @@ class ReactorBase: def moleFraction(self, s): """The mole fraction of species s, specified either by name or index number. - >>> x1 = r.moleFraction(7) - >>> x2 = r.moleFraction('CH3O') + >>> x1 = r.moleFraction(9) + ___0.00012 + >>> x2 = r.moleFraction('CH3') + ___0.00012 """ if type(s) == types.StringType: kk = self._contents.speciesIndex(s) @@ -196,7 +213,7 @@ class ReactorBase: the reactor: >>> for n in r.inlets(): ... print n.name(), n.massFlowRate() - See MassFlowController, Valve. + See: MassFlowController, Valve, PressureController. """ return self._inlets @@ -205,7 +222,7 @@ class ReactorBase: on this reactor. >>> for o in r.outlets(): ... print o.name(), o.massFlowRate() - See MassFlowController, Valve. + See: MassFlowController, Valve, PressureController. """ return self._outlets @@ -213,7 +230,7 @@ class ReactorBase: """Return the list of walls installed on this reactor. >>> for w in r.walls(): ... print w.name() - See Wall. + See: Wall. """ return self._walls @@ -292,7 +309,7 @@ class Reactor(ReactorBase): verbose = 0): """ contents - Reactor contents. If not specified, the reactor is - initially empty. In this case, call method insert to specify + initially empty. In this case, call method 'insert' to specify the contents. name - Used only to identify this reactor in output. If not @@ -440,8 +457,10 @@ class MassFlowController(FlowDevice): """Mass flow controllers. A mass flow controller maintains a specified mass flow rate independent of upstream and downstream - conditions. The equation used to compute the mass flow rate is \f[ - \dot m = \max(\dot m_0, 0.0), \f] where \f$ \dot m_0 \f$ is either + conditions. The equation used to compute the mass flow rate is + \f[ + \dot m = \max(\dot m_0, 0.0), + \f] where \f$ \dot m_0 \f$ is either a constant value or a function of time. Note that if \f$\dot m_0 < 0\f$, the mass flow rate will be set to zero, since reversal of the flow direction is not allowed. @@ -694,12 +713,79 @@ _wallcount = 0 class Wall: """ Reactor walls. - A Wall separates two reactors, or a reactor and a reservoir. + + A Wall separates two reactors, or a reactor and a reservoir. A + wall has a finite area, may conduct or radiate heat between the + two reactors on either side, and may move like a piston. + + Walls are stateless objects in Cantera, meaning that no + differential equation is integrated to determine any wall + property. Since it is the wall (piston) velocity that enters the + energy equation, this means that it is the velocity, not the + acceleration or displacement, that is specified. The wall + velocity is computed from + \f[ + v = K(P_{\\rm left} - P_{\\rm right}) + v_0(t), + \f] + where $K$ is a non-negative constant, and \f$v_0(t)$ is a + specified function of time. The velocity is positive if the wall is + moving to the right. + + The heat flux through the wall is computed from + \f[ + q = U(T_{\\rm left} - T_{\\rm right}) + \epsilon\sigma (T_{\\rm left}^4 + - T_{\\rm right}^4) + q_0(t), + \f] + where \f$ U \f$ is the overall heat transfer coefficient for + conduction/convection, and \f$ \\epsilon \f$ is the emissivity. + The function \f$ q_0(t)$ is a specified function of time. + The heat flux is positive when heat flows from the reactor on the left + to the reactor on the right. + + A heterogeneous reaction mechanism may be specified for one or + both of the wall surfaces. The mechanism object (typically an + instance of class Interface) must be constructed so that it is + properly linked to the object representing the fluid in the + reactor the surface in question faces. The surface temperature on + each side is taken to be equal to the temperature of the reactor + it faces. + """ - def __init__(self, left=None, right=None, name = '', + def __init__(self, left, right, name = '', A = 1.0, K = 0.0, U = 0.0, Q = None, velocity = None, kinetics = [None, None]): + """ + Constructor arguments: + + left - Reactor or reservoir on the left. Required. + + right - Reactor or reservoir on the right. Required. + + name - Name string. + If omitted, the name is 'Wall_n', where 'n' is an integer + assigned in the order walls are created. + + A - Wall area [m^2]. Defaults to 1.0 m^2. + + K - Wall expansion rate parameter [m/s/Pa]. Defaults to 0.0. + + U - Overall heat transfer coefficient [W/m^2]. Defaults to 0.0 + (adiabbatic wall). + + Q - Heat flux function \f$ q_0(t) \f$ [W/m^2]. Optional. Default: + \f$ q_0(t) = 0.0 \f$. + + velocity - Wall velocity function \f$ v_0(t) \f$ [m/s]. + Default: \f$ v_0(t) = 0.0 \f$. + + kinetics - Surface reaction mechanisms for the left-facing and + right-facing surface, respectively. These must be instances of + class Kinetics, or of a class derived from Kinetics, such as + Interface. If chemistry occurs on only one side, enter 'None' + for the non-reactive side. + + """ typ = 0 self.__wall_id = _cantera.wall_new(typ) @@ -712,7 +798,7 @@ class Wall: if left and right: self.install(left, right) - elif left or right: + else: raise CanteraError('both left and right reactors must be specified.') self.setArea(A) self.setExpansionRateCoeff(K) @@ -723,14 +809,17 @@ class Wall: self.setKinetics(kinetics[0],kinetics[1]) def __del__(self): - """ - Delete the Wall instance. - """ + """ Delete the Wall instance. This method is called + automatically when no Python object stores a reference to this + Wall. Since reactors and reserviors store references to all + Walls installed on them, this method will only be called after + the reactors/reservoirs have been deleted. """ + _cantera.wall_del(self.__wall_id) def ready(self): """ - Return 1 if the wall instance is ready for use, 0 otherwise. + Return 1 if the wall instance is ready for use, 0 otherwise. Deprecated. """ return _cantera.wall_ready(self.__wall_id) @@ -742,7 +831,7 @@ class Wall: def setArea(self, a): """ - Set the area (m^2). + Set the area (m^2). The wall area may be changed manually at any time during a simulation. """ _cantera.wall_setArea(self.__wall_id, a) @@ -759,14 +848,15 @@ class Wall: def setEmissivity(self, epsilon): """ Set the emissivity. - The radiative heat flux through the wall is computed from - \f[ q_r = \epsion \sigma (T_\ell^4 - T_r^4) \f] """ + _cantera.wall_setEmissivity(self.__wall_id, epsilon) - def setHeatFlux(self, qfunc=None): + + def setHeatFlux(self, qfunc): """ Specify the time-dependent heat flux function [W/m2]. - 'qfunc' must be a functor. + 'qfunc' must be a functor (an instance of a subclass of Cantera.Func1). + See: Func1. """ n = 0 if qfunc: n = qfunc.func_id() @@ -777,9 +867,11 @@ class Wall: resulting from a unit pressure drop.""" _cantera.wall_setExpansionRateCoeff(self.__wall_id, k) - def setVelocity(self, vfunc=None): + def setVelocity(self, vfunc): """ - Specify the velocity function [m/s]. + Specify the velocity function [m/s]. 'vfunc' must + be a functor (an instance of a subclass of Cantera.Func1) + See: Func1. """ n = 0 if vfunc: n = vfunc.func_id() @@ -791,11 +883,17 @@ class Wall: reactor volume decreasing.""" return _cantera.wall_vdot(self.__wall_id) + def velocity(self): + return self.vdot()/self.area() + def heatFlowRate(self): """Rate of heat flow through the wall. A positive value corresponds to heat flowing from the left-hand reactor to the right-hand one.""" return _cantera.wall_Q(self.__wall_id) + + def heatFlux(self): + return self.heatFlowRate()/self.area() def install(self, left, right): left._addWall(self, right) @@ -814,6 +912,9 @@ class Wall: _cantera.wall_setkinetics(self.__wall_id, ileft, iright) def set(self, **p): + """Set various wall parameters: 'A', 'U', 'K', 'Q'. 'velocity'. + These have the same meanings as in the constructor. + """ for item in p.keys(): if item == 'A' or item == 'area': self.setArea(p[item]) @@ -825,8 +926,8 @@ class Wall: self.setExpansionRateCoeff(p[item]) elif item == 'Q': self.setHeatFlux(p[item]) - elif item == 'Vdot': - self.setExpansionRate(p[item]) + elif item == 'velocity': + self.setVelocity(p[item]) else: raise 'unknown parameter: ',item diff --git a/Cantera/python/Cantera/ThermoPhase.py b/Cantera/python/Cantera/ThermoPhase.py index 0d131a256..f6e781456 100644 --- a/Cantera/python/Cantera/ThermoPhase.py +++ b/Cantera/python/Cantera/ThermoPhase.py @@ -10,10 +10,17 @@ def thermoIndex(id): return _cantera.thermo_thermoIndex(id) class ThermoPhase(Phase): - """ Phases of matter. + """ A phase with an equation of state. - Class ThermoPhase may be used to represent the intensive state - of a homogeneous phase of matter, which might be a gas, liquid, or solid. + Class ThermoPhase may be used to represent the intensive + thermodynamic state of a phase of matter, which might be a gas, + liquid, or solid. Class ThermoPhase extends class Phase by + providing methods that require knowledge of the equation of state. + + Class ThermoPhase is not usually instantiated directly. It is used + as base class for classes Solution and Interface. + + See: Solution, Interface """ #used in the 'equilibrate' method @@ -26,7 +33,9 @@ class ThermoPhase(Phase): xml_phase - CTML node specifying the attributes of this phase index - optional. If positive, create only a Python wrapper for - an existing kernel object + an existing kernel object, instead of creating a new kernel object. + The value of 'index' is the integer index number to reference the + existing kernel object. """ self._phase_id = 0 diff --git a/Cantera/python/Cantera/Transport.py b/Cantera/python/Cantera/Transport.py index f6b0fe296..6d5edbdb6 100755 --- a/Cantera/python/Cantera/Transport.py +++ b/Cantera/python/Cantera/Transport.py @@ -1,3 +1,22 @@ +""" Cantera provides a set of classes for 'transport managers' that +manage the computation of various transport properties of a phase of +matter. Every object +representing a phase of matter for which transport properties are needed +has a transport manager assigned to +it. The transport manager has only one job: to compute the values +of the transport properties of its assigned phase. + +A transport manager may do additional things not apparent to the user +in order to improve the speed of transport property evaluation. For +example, it may cache intermediate results that depend only on +temperature, so that if it happens to be called again at the same +temperature (a common occurrence) it can skip over computing the +stored temperature-dependent intermediate properties. +This is why we use the term 'manager' rather than 'calculator' + +In the Cantera kernel, each different transport model is implemented by a different class derived from the genericse class Transport. A highly simplified class structure is used in the Python interface -- there is only one class +""" + import _cantera from Numeric import asarray import exceptions diff --git a/Cantera/python/Cantera/importFromFile.py b/Cantera/python/Cantera/importFromFile.py index 8972dd3ad..8459fff05 100755 --- a/Cantera/python/Cantera/importFromFile.py +++ b/Cantera/python/Cantera/importFromFile.py @@ -1,5 +1,7 @@ """Functions to import phase and interface definitions from CTI or -CTML files.""" +CTML files. This module is imported when the Cantera package is +imported, and therfore does not need to be explicitly imported in +application programs.""" import solution import Interface diff --git a/Cantera/python/src/ctreactor_methods.cpp b/Cantera/python/src/ctreactor_methods.cpp index 36da789f9..b99dae532 100644 --- a/Cantera/python/src/ctreactor_methods.cpp +++ b/Cantera/python/src/ctreactor_methods.cpp @@ -384,7 +384,7 @@ static PyObject* py_wall_setArea(PyObject *self, PyObject *args) { int n; - double area; + double area; if (!PyArg_ParseTuple(args, "id:wall_setArea", &n, &area)) return NULL; int iok = wall_setArea(n, area); diff --git a/Cantera/src/ct2ctml.cpp b/Cantera/src/ct2ctml.cpp index 2f328e069..7277635d2 100644 --- a/Cantera/src/ct2ctml.cpp +++ b/Cantera/src/ct2ctml.cpp @@ -87,7 +87,7 @@ namespace ctml { if (!f) { throw CanteraError("ct2ctml","cannot open "+path+" for writing."); } - f << "from Cantera.ctml_writer import *\n" + f << "from ctml_writer import *\n" << "import sys, os, os.path\n" << "file = \"" << file << "\"\n" << "base = os.path.basename(file)\n" diff --git a/Makefile.in b/Makefile.in index 999d88ebd..72b427e97 100755 --- a/Makefile.in +++ b/Makefile.in @@ -126,17 +126,21 @@ endif python: -ifeq ($(build_python),1) +ifeq ($(build_python),2) ifeq ($(os_is_win),0) cd Cantera/python; @MAKE@ else cd Cantera/python; @MAKE@ win endif endif +ifeq ($(build_python),1) + cd Cantera/python; @MAKE@ minbuild +endif python-install: -ifeq ($(build_python),1) +ifneq ($(build_python),0) cd Cantera/python; @MAKE@ install +ifeq ($(build_python),2) @INSTALL@ -d @ct_demodir@/python @INSTALL@ Cantera/python/examples/*.py @ct_demodir@/python @INSTALL@ -d @ct_tutdir@/python @@ -144,11 +148,16 @@ ifeq ($(build_python),1) @ct_tutdir@/python chown -R @username@ @ct_demodir@/python chown -R @username@ @ct_tutdir@/python +else + @echo 'NOT installing Python demos or tutorials' +endif endif matlab: ifeq ($(build_matlab),1) cd Cantera/matlab; @MAKE@ +else + @echo 'NOT installing the Matlab toolbox' endif #win-matlab: diff --git a/config/configure b/config/configure index 61955a0ee..f9b127236 100755 --- a/config/configure +++ b/config/configure @@ -1,26 +1,287 @@ #! /bin/sh - # Guess values for system-dependent variables and create Makefiles. -# Generated automatically using autoconf version 2.13 -# Copyright (C) 1992, 93, 94, 95, 96 Free Software Foundation, Inc. +# Generated by GNU Autoconf 2.57. # +# Copyright 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001, 2002 +# Free Software Foundation, Inc. # This configure script is free software; the Free Software Foundation # gives unlimited permission to copy, distribute and modify it. +## --------------------- ## +## M4sh Initialization. ## +## --------------------- ## -# Defaults: -ac_help= +# Be Bourne compatible +if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then + emulate sh + NULLCMD=: + # Zsh 3.x and 4.x performs word splitting on ${1+"$@"}, which + # is contrary to our usage. Disable this feature. + alias -g '${1+"$@"}'='"$@"' +elif test -n "${BASH_VERSION+set}" && (set -o posix) >/dev/null 2>&1; then + set -o posix +fi + +# Support unset when possible. +if (FOO=FOO; unset FOO) >/dev/null 2>&1; then + as_unset=unset +else + as_unset=false +fi + + +# Work around bugs in pre-3.0 UWIN ksh. +$as_unset ENV MAIL MAILPATH +PS1='$ ' +PS2='> ' +PS4='+ ' + +# NLS nuisances. +for as_var in \ + LANG LANGUAGE LC_ADDRESS LC_ALL LC_COLLATE LC_CTYPE LC_IDENTIFICATION \ + LC_MEASUREMENT LC_MESSAGES LC_MONETARY LC_NAME LC_NUMERIC LC_PAPER \ + LC_TELEPHONE LC_TIME +do + if (set +x; test -n "`(eval $as_var=C; export $as_var) 2>&1`"); then + eval $as_var=C; export $as_var + else + $as_unset $as_var + fi +done + +# Required to use basename. +if expr a : '\(a\)' >/dev/null 2>&1; then + as_expr=expr +else + as_expr=false +fi + +if (basename /) >/dev/null 2>&1 && test "X`basename / 2>&1`" = "X/"; then + as_basename=basename +else + as_basename=false +fi + + +# Name of the executable. +as_me=`$as_basename "$0" || +$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \ + X"$0" : 'X\(//\)$' \| \ + X"$0" : 'X\(/\)$' \| \ + . : '\(.\)' 2>/dev/null || +echo X/"$0" | + sed '/^.*\/\([^/][^/]*\)\/*$/{ s//\1/; q; } + /^X\/\(\/\/\)$/{ s//\1/; q; } + /^X\/\(\/\).*/{ s//\1/; q; } + s/.*/./; q'` + + +# PATH needs CR, and LINENO needs CR and PATH. +# Avoid depending upon Character Ranges. +as_cr_letters='abcdefghijklmnopqrstuvwxyz' +as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ' +as_cr_Letters=$as_cr_letters$as_cr_LETTERS +as_cr_digits='0123456789' +as_cr_alnum=$as_cr_Letters$as_cr_digits + +# The user is always right. +if test "${PATH_SEPARATOR+set}" != set; then + echo "#! /bin/sh" >conf$$.sh + echo "exit 0" >>conf$$.sh + chmod +x conf$$.sh + if (PATH="/nonexistent;."; conf$$.sh) >/dev/null 2>&1; then + PATH_SEPARATOR=';' + else + PATH_SEPARATOR=: + fi + rm -f conf$$.sh +fi + + + as_lineno_1=$LINENO + as_lineno_2=$LINENO + as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null` + test "x$as_lineno_1" != "x$as_lineno_2" && + test "x$as_lineno_3" = "x$as_lineno_2" || { + # Find who we are. Look in the path if we contain no path at all + # relative or not. + case $0 in + *[\\/]* ) as_myself=$0 ;; + *) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break +done + + ;; + esac + # We did not find ourselves, most probably we were run as `sh COMMAND' + # in which case we are not to be found in the path. + if test "x$as_myself" = x; then + as_myself=$0 + fi + if test ! -f "$as_myself"; then + { echo "$as_me: error: cannot find myself; rerun with an absolute path" >&2 + { (exit 1); exit 1; }; } + fi + case $CONFIG_SHELL in + '') + as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for as_base in sh bash ksh sh5; do + case $as_dir in + /*) + if ("$as_dir/$as_base" -c ' + as_lineno_1=$LINENO + as_lineno_2=$LINENO + as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null` + test "x$as_lineno_1" != "x$as_lineno_2" && + test "x$as_lineno_3" = "x$as_lineno_2" ') 2>/dev/null; then + $as_unset BASH_ENV || test "${BASH_ENV+set}" != set || { BASH_ENV=; export BASH_ENV; } + $as_unset ENV || test "${ENV+set}" != set || { ENV=; export ENV; } + CONFIG_SHELL=$as_dir/$as_base + export CONFIG_SHELL + exec "$CONFIG_SHELL" "$0" ${1+"$@"} + fi;; + esac + done +done +;; + esac + + # Create $as_me.lineno as a copy of $as_myself, but with $LINENO + # uniformly replaced by the line number. The first 'sed' inserts a + # line-number line before each line; the second 'sed' does the real + # work. The second script uses 'N' to pair each line-number line + # with the numbered line, and appends trailing '-' during + # substitution so that $LINENO is not a special case at line end. + # (Raja R Harinath suggested sed '=', and Paul Eggert wrote the + # second 'sed' script. Blame Lee E. McMahon for sed's syntax. :-) + sed '=' <$as_myself | + sed ' + N + s,$,-, + : loop + s,^\(['$as_cr_digits']*\)\(.*\)[$]LINENO\([^'$as_cr_alnum'_]\),\1\2\1\3, + t loop + s,-$,, + s,^['$as_cr_digits']*\n,, + ' >$as_me.lineno && + chmod +x $as_me.lineno || + { echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2 + { (exit 1); exit 1; }; } + + # Don't try to exec as it changes $[0], causing all sort of problems + # (the dirname of $[0] is not the place where we might find the + # original and so on. Autoconf is especially sensible to this). + . ./$as_me.lineno + # Exit status is that of the last command. + exit +} + + +case `echo "testing\c"; echo 1,2,3`,`echo -n testing; echo 1,2,3` in + *c*,-n*) ECHO_N= ECHO_C=' +' ECHO_T=' ' ;; + *c*,* ) ECHO_N=-n ECHO_C= ECHO_T= ;; + *) ECHO_N= ECHO_C='\c' ECHO_T= ;; +esac + +if expr a : '\(a\)' >/dev/null 2>&1; then + as_expr=expr +else + as_expr=false +fi + +rm -f conf$$ conf$$.exe conf$$.file +echo >conf$$.file +if ln -s conf$$.file conf$$ 2>/dev/null; then + # We could just check for DJGPP; but this test a) works b) is more generic + # and c) will remain valid once DJGPP supports symlinks (DJGPP 2.04). + if test -f conf$$.exe; then + # Don't use ln at all; we don't have any links + as_ln_s='cp -p' + else + as_ln_s='ln -s' + fi +elif ln conf$$.file conf$$ 2>/dev/null; then + as_ln_s=ln +else + as_ln_s='cp -p' +fi +rm -f conf$$ conf$$.exe conf$$.file + +if mkdir -p . 2>/dev/null; then + as_mkdir_p=: +else + as_mkdir_p=false +fi + +as_executable_p="test -f" + +# Sed expression to map a string onto a valid CPP name. +as_tr_cpp="sed y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g" + +# Sed expression to map a string onto a valid variable name. +as_tr_sh="sed y%*+%pp%;s%[^_$as_cr_alnum]%_%g" + + +# IFS +# We need space, tab and new line, in precisely that order. +as_nl=' +' +IFS=" $as_nl" + +# CDPATH. +$as_unset CDPATH + + +# Name of the host. +# hostname on some systems (SVR3.2, Linux) returns a bogus exit status, +# so uname gets run too. +ac_hostname=`(hostname || uname -n) 2>/dev/null | sed 1q` + +exec 6>&1 + +# +# Initializations. +# ac_default_prefix=/usr/local -# Any additions from configure.in: +ac_config_libobj_dir=. +cross_compiling=no +subdirs= +MFLAGS= +MAKEFLAGS= +SHELL=${CONFIG_SHELL-/bin/sh} + +# Maximum number of lines to put in a shell here document. +# This variable seems obsolete. It should probably be removed, and +# only ac_max_sed_lines should be used. +: ${ac_max_here_lines=38} + +# Identity of this package. +PACKAGE_NAME= +PACKAGE_TARNAME= +PACKAGE_VERSION= +PACKAGE_STRING= +PACKAGE_BUGREPORT= + +ac_unique_file="Cantera.README" +ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKAGE_TARNAME PACKAGE_VERSION PACKAGE_STRING PACKAGE_BUGREPORT exec_prefix prefix program_transform_name bindir sbindir libexecdir datadir sysconfdir sharedstatedir localstatedir libdir includedir oldincludedir infodir mandir build_alias host_alias target_alias DEFS ECHO_C ECHO_N ECHO_T LIBS CVF_LIBDIR local_inst local_python_inst python_prefix ctversion homedir ct_libdir ct_incdir ct_incroot ct_bindir ct_datadir ct_demodir ct_templdir ct_mandir ct_tutdir ct_docdir ct_dir CANTERA_LIBDIR CANTERA_INCDIR CT_TOOLS_BIN CANTERA_BINDIR CANTERA_EXAMPLES_DIR CANTERA_DATADIR build build_cpu build_vendor build_os host host_cpu host_vendor host_os target target_cpu target_vendor target_os username ctroot buildinc buildlib buildbin MAKE ARCHIVE DO_RANLIB RANLIB SOEXT SHARED PIC LCXX_FLAGS LCXX_END_LIBS USERDIR INCL_USER_CODE KERNEL BUILD_CK LIB_DIR LAPACK_LIBRARY build_lapack BLAS_LIBRARY build_blas LOCAL_LIBS CANTERA_PARTICLES_DIR BUILD_PARTICLES CT_SHARED_LIB BUILD_F90 PYTHON_CMD WIN_PYTHON_CMD BUILD_PYTHON MATLAB_CMD BUILD_MATLAB BUILD_CLIB export_name INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA CXX CXXFLAGS LDFLAGS CPPFLAGS ac_ct_CXX EXEEXT OBJEXT CC CFLAGS ac_ct_CC F77 FFLAGS ac_ct_F77 FLIBS precompile_headers CXX_DEPENDS OS_IS_DARWIN OS_IS_WIN OS_IS_CYGWIN SHARED_CTLIB mex_ext F77_EXT CXX_EXT OBJ_EXT EXE_EXT local_math_libs math_libs SO LDSHARED LIBOBJS LTLIBOBJS' +ac_subst_files='' # Initialize some variables set by options. +ac_init_help= +ac_init_version=false # The variables have the same names as the options, with # dashes changed to underlines. -build=NONE -cache_file=./config.cache +cache_file=/dev/null exec_prefix=NONE -host=NONE no_create= -nonopt=NONE no_recursion= prefix=NONE program_prefix=NONE @@ -29,10 +290,15 @@ program_transform_name=s,x,x, silent= site= srcdir= -target=NONE verbose= x_includes=NONE x_libraries=NONE + +# Installation directory options. +# These are left unexpanded so users can "make install exec_prefix=/foo" +# and all the variables that are supposed to be based on exec_prefix +# by default will actually change. +# Use braces instead of parens because sh, perl, etc. also accept them. bindir='${exec_prefix}/bin' sbindir='${exec_prefix}/sbin' libexecdir='${exec_prefix}/libexec' @@ -46,17 +312,9 @@ oldincludedir='/usr/include' infodir='${prefix}/info' mandir='${prefix}/man' -# Initialize some other variables. -subdirs= -MFLAGS= MAKEFLAGS= -SHELL=${CONFIG_SHELL-/bin/sh} -# Maximum number of lines to put in a shell here document. -ac_max_here_lines=12 - ac_prev= for ac_option do - # If the previous option needs an argument, assign it. if test -n "$ac_prev"; then eval "$ac_prev=\$ac_option" @@ -64,59 +322,59 @@ do continue fi - case "$ac_option" in - -*=*) ac_optarg=`echo "$ac_option" | sed 's/[-_a-zA-Z0-9]*=//'` ;; - *) ac_optarg= ;; - esac + ac_optarg=`expr "x$ac_option" : 'x[^=]*=\(.*\)'` # Accept the important Cygnus configure options, so we can diagnose typos. - case "$ac_option" in + case $ac_option in -bindir | --bindir | --bindi | --bind | --bin | --bi) ac_prev=bindir ;; -bindir=* | --bindir=* | --bindi=* | --bind=* | --bin=* | --bi=*) - bindir="$ac_optarg" ;; + bindir=$ac_optarg ;; -build | --build | --buil | --bui | --bu) - ac_prev=build ;; + ac_prev=build_alias ;; -build=* | --build=* | --buil=* | --bui=* | --bu=*) - build="$ac_optarg" ;; + build_alias=$ac_optarg ;; -cache-file | --cache-file | --cache-fil | --cache-fi \ | --cache-f | --cache- | --cache | --cach | --cac | --ca | --c) ac_prev=cache_file ;; -cache-file=* | --cache-file=* | --cache-fil=* | --cache-fi=* \ | --cache-f=* | --cache-=* | --cache=* | --cach=* | --cac=* | --ca=* | --c=*) - cache_file="$ac_optarg" ;; + cache_file=$ac_optarg ;; + + --config-cache | -C) + cache_file=config.cache ;; -datadir | --datadir | --datadi | --datad | --data | --dat | --da) ac_prev=datadir ;; -datadir=* | --datadir=* | --datadi=* | --datad=* | --data=* | --dat=* \ | --da=*) - datadir="$ac_optarg" ;; + datadir=$ac_optarg ;; -disable-* | --disable-*) - ac_feature=`echo $ac_option|sed -e 's/-*disable-//'` + ac_feature=`expr "x$ac_option" : 'x-*disable-\(.*\)'` # Reject names that are not valid shell variable names. - if test -n "`echo $ac_feature| sed 's/[-a-zA-Z0-9_]//g'`"; then - { echo "configure: error: $ac_feature: invalid feature name" 1>&2; exit 1; } - fi - ac_feature=`echo $ac_feature| sed 's/-/_/g'` - eval "enable_${ac_feature}=no" ;; + expr "x$ac_feature" : ".*[^-_$as_cr_alnum]" >/dev/null && + { echo "$as_me: error: invalid feature name: $ac_feature" >&2 + { (exit 1); exit 1; }; } + ac_feature=`echo $ac_feature | sed 's/-/_/g'` + eval "enable_$ac_feature=no" ;; -enable-* | --enable-*) - ac_feature=`echo $ac_option|sed -e 's/-*enable-//' -e 's/=.*//'` + ac_feature=`expr "x$ac_option" : 'x-*enable-\([^=]*\)'` # Reject names that are not valid shell variable names. - if test -n "`echo $ac_feature| sed 's/[-_a-zA-Z0-9]//g'`"; then - { echo "configure: error: $ac_feature: invalid feature name" 1>&2; exit 1; } - fi - ac_feature=`echo $ac_feature| sed 's/-/_/g'` - case "$ac_option" in - *=*) ;; + expr "x$ac_feature" : ".*[^-_$as_cr_alnum]" >/dev/null && + { echo "$as_me: error: invalid feature name: $ac_feature" >&2 + { (exit 1); exit 1; }; } + ac_feature=`echo $ac_feature | sed 's/-/_/g'` + case $ac_option in + *=*) ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`;; *) ac_optarg=yes ;; esac - eval "enable_${ac_feature}='$ac_optarg'" ;; + eval "enable_$ac_feature='$ac_optarg'" ;; -exec-prefix | --exec_prefix | --exec-prefix | --exec-prefi \ | --exec-pref | --exec-pre | --exec-pr | --exec-p | --exec- \ @@ -125,95 +383,47 @@ do -exec-prefix=* | --exec_prefix=* | --exec-prefix=* | --exec-prefi=* \ | --exec-pref=* | --exec-pre=* | --exec-pr=* | --exec-p=* | --exec-=* \ | --exec=* | --exe=* | --ex=*) - exec_prefix="$ac_optarg" ;; + exec_prefix=$ac_optarg ;; -gas | --gas | --ga | --g) # Obsolete; use --with-gas. with_gas=yes ;; - -help | --help | --hel | --he) - # Omit some internal or obsolete options to make the list less imposing. - # This message is too long to be a string in the A/UX 3.1 sh. - cat << EOF -Usage: configure [options] [host] -Options: [defaults in brackets after descriptions] -Configuration: - --cache-file=FILE cache test results in FILE - --help print this message - --no-create do not create output files - --quiet, --silent do not print \`checking...' messages - --version print the version of autoconf that created configure -Directory and file names: - --prefix=PREFIX install architecture-independent files in PREFIX - [$ac_default_prefix] - --exec-prefix=EPREFIX install architecture-dependent files in EPREFIX - [same as prefix] - --bindir=DIR user executables in DIR [EPREFIX/bin] - --sbindir=DIR system admin executables in DIR [EPREFIX/sbin] - --libexecdir=DIR program executables in DIR [EPREFIX/libexec] - --datadir=DIR read-only architecture-independent data in DIR - [PREFIX/share] - --sysconfdir=DIR read-only single-machine data in DIR [PREFIX/etc] - --sharedstatedir=DIR modifiable architecture-independent data in DIR - [PREFIX/com] - --localstatedir=DIR modifiable single-machine data in DIR [PREFIX/var] - --libdir=DIR object code libraries in DIR [EPREFIX/lib] - --includedir=DIR C header files in DIR [PREFIX/include] - --oldincludedir=DIR C header files for non-gcc in DIR [/usr/include] - --infodir=DIR info documentation in DIR [PREFIX/info] - --mandir=DIR man documentation in DIR [PREFIX/man] - --srcdir=DIR find the sources in DIR [configure dir or ..] - --program-prefix=PREFIX prepend PREFIX to installed program names - --program-suffix=SUFFIX append SUFFIX to installed program names - --program-transform-name=PROGRAM - run sed PROGRAM on installed program names -EOF - cat << EOF -Host type: - --build=BUILD configure for building on BUILD [BUILD=HOST] - --host=HOST configure for HOST [guessed] - --target=TARGET configure for TARGET [TARGET=HOST] -Features and packages: - --disable-FEATURE do not include FEATURE (same as --enable-FEATURE=no) - --enable-FEATURE[=ARG] include FEATURE [ARG=yes] - --with-PACKAGE[=ARG] use PACKAGE [ARG=yes] - --without-PACKAGE do not use PACKAGE (same as --with-PACKAGE=no) - --x-includes=DIR X include files are in DIR - --x-libraries=DIR X library files are in DIR -EOF - if test -n "$ac_help"; then - echo "--enable and --with options recognized:$ac_help" - fi - exit 0 ;; + -help | --help | --hel | --he | -h) + ac_init_help=long ;; + -help=r* | --help=r* | --hel=r* | --he=r* | -hr*) + ac_init_help=recursive ;; + -help=s* | --help=s* | --hel=s* | --he=s* | -hs*) + ac_init_help=short ;; -host | --host | --hos | --ho) - ac_prev=host ;; + ac_prev=host_alias ;; -host=* | --host=* | --hos=* | --ho=*) - host="$ac_optarg" ;; + host_alias=$ac_optarg ;; -includedir | --includedir | --includedi | --included | --include \ | --includ | --inclu | --incl | --inc) ac_prev=includedir ;; -includedir=* | --includedir=* | --includedi=* | --included=* | --include=* \ | --includ=* | --inclu=* | --incl=* | --inc=*) - includedir="$ac_optarg" ;; + includedir=$ac_optarg ;; -infodir | --infodir | --infodi | --infod | --info | --inf) ac_prev=infodir ;; -infodir=* | --infodir=* | --infodi=* | --infod=* | --info=* | --inf=*) - infodir="$ac_optarg" ;; + infodir=$ac_optarg ;; -libdir | --libdir | --libdi | --libd) ac_prev=libdir ;; -libdir=* | --libdir=* | --libdi=* | --libd=*) - libdir="$ac_optarg" ;; + libdir=$ac_optarg ;; -libexecdir | --libexecdir | --libexecdi | --libexecd | --libexec \ | --libexe | --libex | --libe) ac_prev=libexecdir ;; -libexecdir=* | --libexecdir=* | --libexecdi=* | --libexecd=* | --libexec=* \ | --libexe=* | --libex=* | --libe=*) - libexecdir="$ac_optarg" ;; + libexecdir=$ac_optarg ;; -localstatedir | --localstatedir | --localstatedi | --localstated \ | --localstate | --localstat | --localsta | --localst \ @@ -222,19 +432,19 @@ EOF -localstatedir=* | --localstatedir=* | --localstatedi=* | --localstated=* \ | --localstate=* | --localstat=* | --localsta=* | --localst=* \ | --locals=* | --local=* | --loca=* | --loc=* | --lo=*) - localstatedir="$ac_optarg" ;; + localstatedir=$ac_optarg ;; -mandir | --mandir | --mandi | --mand | --man | --ma | --m) ac_prev=mandir ;; -mandir=* | --mandir=* | --mandi=* | --mand=* | --man=* | --ma=* | --m=*) - mandir="$ac_optarg" ;; + mandir=$ac_optarg ;; -nfp | --nfp | --nf) # Obsolete; use --without-fp. with_fp=no ;; -no-create | --no-create | --no-creat | --no-crea | --no-cre \ - | --no-cr | --no-c) + | --no-cr | --no-c | -n) no_create=yes ;; -no-recursion | --no-recursion | --no-recursio | --no-recursi \ @@ -248,26 +458,26 @@ EOF -oldincludedir=* | --oldincludedir=* | --oldincludedi=* | --oldincluded=* \ | --oldinclude=* | --oldinclud=* | --oldinclu=* | --oldincl=* | --oldinc=* \ | --oldin=* | --oldi=* | --old=* | --ol=* | --o=*) - oldincludedir="$ac_optarg" ;; + oldincludedir=$ac_optarg ;; -prefix | --prefix | --prefi | --pref | --pre | --pr | --p) ac_prev=prefix ;; -prefix=* | --prefix=* | --prefi=* | --pref=* | --pre=* | --pr=* | --p=*) - prefix="$ac_optarg" ;; + prefix=$ac_optarg ;; -program-prefix | --program-prefix | --program-prefi | --program-pref \ | --program-pre | --program-pr | --program-p) ac_prev=program_prefix ;; -program-prefix=* | --program-prefix=* | --program-prefi=* \ | --program-pref=* | --program-pre=* | --program-pr=* | --program-p=*) - program_prefix="$ac_optarg" ;; + program_prefix=$ac_optarg ;; -program-suffix | --program-suffix | --program-suffi | --program-suff \ | --program-suf | --program-su | --program-s) ac_prev=program_suffix ;; -program-suffix=* | --program-suffix=* | --program-suffi=* \ | --program-suff=* | --program-suf=* | --program-su=* | --program-s=*) - program_suffix="$ac_optarg" ;; + program_suffix=$ac_optarg ;; -program-transform-name | --program-transform-name \ | --program-transform-nam | --program-transform-na \ @@ -284,7 +494,7 @@ EOF | --program-transfo=* | --program-transf=* \ | --program-trans=* | --program-tran=* \ | --progr-tra=* | --program-tr=* | --program-t=*) - program_transform_name="$ac_optarg" ;; + program_transform_name=$ac_optarg ;; -q | -quiet | --quiet | --quie | --qui | --qu | --q \ | -silent | --silent | --silen | --sile | --sil) @@ -294,7 +504,7 @@ EOF ac_prev=sbindir ;; -sbindir=* | --sbindir=* | --sbindi=* | --sbind=* | --sbin=* \ | --sbi=* | --sb=*) - sbindir="$ac_optarg" ;; + sbindir=$ac_optarg ;; -sharedstatedir | --sharedstatedir | --sharedstatedi \ | --sharedstated | --sharedstate | --sharedstat | --sharedsta \ @@ -305,58 +515,57 @@ EOF | --sharedstated=* | --sharedstate=* | --sharedstat=* | --sharedsta=* \ | --sharedst=* | --shareds=* | --shared=* | --share=* | --shar=* \ | --sha=* | --sh=*) - sharedstatedir="$ac_optarg" ;; + sharedstatedir=$ac_optarg ;; -site | --site | --sit) ac_prev=site ;; -site=* | --site=* | --sit=*) - site="$ac_optarg" ;; + site=$ac_optarg ;; -srcdir | --srcdir | --srcdi | --srcd | --src | --sr) ac_prev=srcdir ;; -srcdir=* | --srcdir=* | --srcdi=* | --srcd=* | --src=* | --sr=*) - srcdir="$ac_optarg" ;; + srcdir=$ac_optarg ;; -sysconfdir | --sysconfdir | --sysconfdi | --sysconfd | --sysconf \ | --syscon | --sysco | --sysc | --sys | --sy) ac_prev=sysconfdir ;; -sysconfdir=* | --sysconfdir=* | --sysconfdi=* | --sysconfd=* | --sysconf=* \ | --syscon=* | --sysco=* | --sysc=* | --sys=* | --sy=*) - sysconfdir="$ac_optarg" ;; + sysconfdir=$ac_optarg ;; -target | --target | --targe | --targ | --tar | --ta | --t) - ac_prev=target ;; + ac_prev=target_alias ;; -target=* | --target=* | --targe=* | --targ=* | --tar=* | --ta=* | --t=*) - target="$ac_optarg" ;; + target_alias=$ac_optarg ;; -v | -verbose | --verbose | --verbos | --verbo | --verb) verbose=yes ;; - -version | --version | --versio | --versi | --vers) - echo "configure generated by autoconf version 2.13" - exit 0 ;; + -version | --version | --versio | --versi | --vers | -V) + ac_init_version=: ;; -with-* | --with-*) - ac_package=`echo $ac_option|sed -e 's/-*with-//' -e 's/=.*//'` + ac_package=`expr "x$ac_option" : 'x-*with-\([^=]*\)'` # Reject names that are not valid shell variable names. - if test -n "`echo $ac_package| sed 's/[-_a-zA-Z0-9]//g'`"; then - { echo "configure: error: $ac_package: invalid package name" 1>&2; exit 1; } - fi + expr "x$ac_package" : ".*[^-_$as_cr_alnum]" >/dev/null && + { echo "$as_me: error: invalid package name: $ac_package" >&2 + { (exit 1); exit 1; }; } ac_package=`echo $ac_package| sed 's/-/_/g'` - case "$ac_option" in - *=*) ;; + case $ac_option in + *=*) ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`;; *) ac_optarg=yes ;; esac - eval "with_${ac_package}='$ac_optarg'" ;; + eval "with_$ac_package='$ac_optarg'" ;; -without-* | --without-*) - ac_package=`echo $ac_option|sed -e 's/-*without-//'` + ac_package=`expr "x$ac_option" : 'x-*without-\(.*\)'` # Reject names that are not valid shell variable names. - if test -n "`echo $ac_package| sed 's/[-a-zA-Z0-9_]//g'`"; then - { echo "configure: error: $ac_package: invalid package name" 1>&2; exit 1; } - fi - ac_package=`echo $ac_package| sed 's/-/_/g'` - eval "with_${ac_package}=no" ;; + expr "x$ac_package" : ".*[^-_$as_cr_alnum]" >/dev/null && + { echo "$as_me: error: invalid package name: $ac_package" >&2 + { (exit 1); exit 1; }; } + ac_package=`echo $ac_package | sed 's/-/_/g'` + eval "with_$ac_package=no" ;; --x) # Obsolete; use --with-x. @@ -367,99 +576,110 @@ EOF ac_prev=x_includes ;; -x-includes=* | --x-includes=* | --x-include=* | --x-includ=* | --x-inclu=* \ | --x-incl=* | --x-inc=* | --x-in=* | --x-i=*) - x_includes="$ac_optarg" ;; + x_includes=$ac_optarg ;; -x-libraries | --x-libraries | --x-librarie | --x-librari \ | --x-librar | --x-libra | --x-libr | --x-lib | --x-li | --x-l) ac_prev=x_libraries ;; -x-libraries=* | --x-libraries=* | --x-librarie=* | --x-librari=* \ | --x-librar=* | --x-libra=* | --x-libr=* | --x-lib=* | --x-li=* | --x-l=*) - x_libraries="$ac_optarg" ;; + x_libraries=$ac_optarg ;; - -*) { echo "configure: error: $ac_option: invalid option; use --help to show usage" 1>&2; exit 1; } + -*) { echo "$as_me: error: unrecognized option: $ac_option +Try \`$0 --help' for more information." >&2 + { (exit 1); exit 1; }; } ;; + *=*) + ac_envvar=`expr "x$ac_option" : 'x\([^=]*\)='` + # Reject names that are not valid shell variable names. + expr "x$ac_envvar" : ".*[^_$as_cr_alnum]" >/dev/null && + { echo "$as_me: error: invalid variable name: $ac_envvar" >&2 + { (exit 1); exit 1; }; } + ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"` + eval "$ac_envvar='$ac_optarg'" + export $ac_envvar ;; + *) - if test -n "`echo $ac_option| sed 's/[-a-z0-9.]//g'`"; then - echo "configure: warning: $ac_option: invalid host type" 1>&2 - fi - if test "x$nonopt" != xNONE; then - { echo "configure: error: can only configure for one host and one target at a time" 1>&2; exit 1; } - fi - nonopt="$ac_option" + # FIXME: should be removed in autoconf 3.0. + echo "$as_me: WARNING: you should use --build, --host, --target" >&2 + expr "x$ac_option" : ".*[^-._$as_cr_alnum]" >/dev/null && + echo "$as_me: WARNING: invalid host type: $ac_option" >&2 + : ${build_alias=$ac_option} ${host_alias=$ac_option} ${target_alias=$ac_option} ;; esac done if test -n "$ac_prev"; then - { echo "configure: error: missing argument to --`echo $ac_prev | sed 's/_/-/g'`" 1>&2; exit 1; } + ac_option=--`echo $ac_prev | sed 's/_/-/g'` + { echo "$as_me: error: missing argument to $ac_option" >&2 + { (exit 1); exit 1; }; } fi -trap 'rm -fr conftest* confdefs* core core.* *.core $ac_clean_files; exit 1' 1 2 15 - -# File descriptor usage: -# 0 standard input -# 1 file creation -# 2 errors and warnings -# 3 some systems may open it to /dev/tty -# 4 used on the Kubota Titan -# 6 checking for... messages and results -# 5 compiler messages saved in config.log -if test "$silent" = yes; then - exec 6>/dev/null -else - exec 6>&1 -fi -exec 5>./config.log - -echo "\ -This file contains any messages produced by compilers while -running configure, to aid debugging if configure makes a mistake. -" 1>&5 - -# Strip out --no-create and --no-recursion so they do not pile up. -# Also quote any args containing shell metacharacters. -ac_configure_args= -for ac_arg +# Be sure to have absolute paths. +for ac_var in exec_prefix prefix do - case "$ac_arg" in - -no-create | --no-create | --no-creat | --no-crea | --no-cre \ - | --no-cr | --no-c) ;; - -no-recursion | --no-recursion | --no-recursio | --no-recursi \ - | --no-recurs | --no-recur | --no-recu | --no-rec | --no-re | --no-r) ;; - *" "*|*" "*|*[\[\]\~\#\$\^\&\*\(\)\{\}\\\|\;\<\>\?]*) - ac_configure_args="$ac_configure_args '$ac_arg'" ;; - *) ac_configure_args="$ac_configure_args $ac_arg" ;; + eval ac_val=$`echo $ac_var` + case $ac_val in + [\\/$]* | ?:[\\/]* | NONE | '' ) ;; + *) { echo "$as_me: error: expected an absolute directory name for --$ac_var: $ac_val" >&2 + { (exit 1); exit 1; }; };; esac done -# NLS nuisances. -# Only set these to C if already set. These must not be set unconditionally -# because not all systems understand e.g. LANG=C (notably SCO). -# Fixing LC_MESSAGES prevents Solaris sh from translating var values in `set'! -# Non-C LC_CTYPE values break the ctype check. -if test "${LANG+set}" = set; then LANG=C; export LANG; fi -if test "${LC_ALL+set}" = set; then LC_ALL=C; export LC_ALL; fi -if test "${LC_MESSAGES+set}" = set; then LC_MESSAGES=C; export LC_MESSAGES; fi -if test "${LC_CTYPE+set}" = set; then LC_CTYPE=C; export LC_CTYPE; fi +# Be sure to have absolute paths. +for ac_var in bindir sbindir libexecdir datadir sysconfdir sharedstatedir \ + localstatedir libdir includedir oldincludedir infodir mandir +do + eval ac_val=$`echo $ac_var` + case $ac_val in + [\\/$]* | ?:[\\/]* ) ;; + *) { echo "$as_me: error: expected an absolute directory name for --$ac_var: $ac_val" >&2 + { (exit 1); exit 1; }; };; + esac +done -# confdefs.h avoids OS command line length limits that DEFS can exceed. -rm -rf conftest* confdefs.h -# AIX cpp loses on an empty file, so make sure it contains at least a newline. -echo > confdefs.h +# There might be people who depend on the old broken behavior: `$host' +# used to hold the argument of --host etc. +# FIXME: To remove some day. +build=$build_alias +host=$host_alias +target=$target_alias + +# FIXME: To remove some day. +if test "x$host_alias" != x; then + if test "x$build_alias" = x; then + cross_compiling=maybe + echo "$as_me: WARNING: If you wanted to set the --build type, don't use --host. + If a cross compiler is detected then cross compile mode will be used." >&2 + elif test "x$build_alias" != "x$host_alias"; then + cross_compiling=yes + fi +fi + +ac_tool_prefix= +test -n "$host_alias" && ac_tool_prefix=$host_alias- + +test "$silent" = yes && exec 6>/dev/null -# A filename unique to this package, relative to the directory that -# configure is in, which we can look for to find out if srcdir is correct. -ac_unique_file=Cantera.README # Find the source files, if location was not specified. if test -z "$srcdir"; then ac_srcdir_defaulted=yes # Try the directory containing this script, then its parent. - ac_prog=$0 - ac_confdir=`echo $ac_prog|sed 's%/[^/][^/]*$%%'` - test "x$ac_confdir" = "x$ac_prog" && ac_confdir=. + ac_confdir=`(dirname "$0") 2>/dev/null || +$as_expr X"$0" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \ + X"$0" : 'X\(//\)[^/]' \| \ + X"$0" : 'X\(//\)$' \| \ + X"$0" : 'X\(/\)' \| \ + . : '\(.\)' 2>/dev/null || +echo X"$0" | + sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; } + /^X\(\/\/\)[^/].*/{ s//\1/; q; } + /^X\(\/\/\)$/{ s//\1/; q; } + /^X\(\/\).*/{ s//\1/; q; } + s/.*/./; q'` srcdir=$ac_confdir if test ! -r $srcdir/$ac_unique_file; then srcdir=.. @@ -469,13 +689,442 @@ else fi if test ! -r $srcdir/$ac_unique_file; then if test "$ac_srcdir_defaulted" = yes; then - { echo "configure: error: can not find sources in $ac_confdir or .." 1>&2; exit 1; } + { echo "$as_me: error: cannot find sources ($ac_unique_file) in $ac_confdir or .." >&2 + { (exit 1); exit 1; }; } else - { echo "configure: error: can not find sources in $srcdir" 1>&2; exit 1; } + { echo "$as_me: error: cannot find sources ($ac_unique_file) in $srcdir" >&2 + { (exit 1); exit 1; }; } fi fi -srcdir=`echo "${srcdir}" | sed 's%\([^/]\)/*$%\1%'` +(cd $srcdir && test -r ./$ac_unique_file) 2>/dev/null || + { echo "$as_me: error: sources are in $srcdir, but \`cd $srcdir' does not work" >&2 + { (exit 1); exit 1; }; } +srcdir=`echo "$srcdir" | sed 's%\([^\\/]\)[\\/]*$%\1%'` +ac_env_build_alias_set=${build_alias+set} +ac_env_build_alias_value=$build_alias +ac_cv_env_build_alias_set=${build_alias+set} +ac_cv_env_build_alias_value=$build_alias +ac_env_host_alias_set=${host_alias+set} +ac_env_host_alias_value=$host_alias +ac_cv_env_host_alias_set=${host_alias+set} +ac_cv_env_host_alias_value=$host_alias +ac_env_target_alias_set=${target_alias+set} +ac_env_target_alias_value=$target_alias +ac_cv_env_target_alias_set=${target_alias+set} +ac_cv_env_target_alias_value=$target_alias +ac_env_CXX_set=${CXX+set} +ac_env_CXX_value=$CXX +ac_cv_env_CXX_set=${CXX+set} +ac_cv_env_CXX_value=$CXX +ac_env_CXXFLAGS_set=${CXXFLAGS+set} +ac_env_CXXFLAGS_value=$CXXFLAGS +ac_cv_env_CXXFLAGS_set=${CXXFLAGS+set} +ac_cv_env_CXXFLAGS_value=$CXXFLAGS +ac_env_LDFLAGS_set=${LDFLAGS+set} +ac_env_LDFLAGS_value=$LDFLAGS +ac_cv_env_LDFLAGS_set=${LDFLAGS+set} +ac_cv_env_LDFLAGS_value=$LDFLAGS +ac_env_CPPFLAGS_set=${CPPFLAGS+set} +ac_env_CPPFLAGS_value=$CPPFLAGS +ac_cv_env_CPPFLAGS_set=${CPPFLAGS+set} +ac_cv_env_CPPFLAGS_value=$CPPFLAGS +ac_env_CC_set=${CC+set} +ac_env_CC_value=$CC +ac_cv_env_CC_set=${CC+set} +ac_cv_env_CC_value=$CC +ac_env_CFLAGS_set=${CFLAGS+set} +ac_env_CFLAGS_value=$CFLAGS +ac_cv_env_CFLAGS_set=${CFLAGS+set} +ac_cv_env_CFLAGS_value=$CFLAGS +ac_env_F77_set=${F77+set} +ac_env_F77_value=$F77 +ac_cv_env_F77_set=${F77+set} +ac_cv_env_F77_value=$F77 +ac_env_FFLAGS_set=${FFLAGS+set} +ac_env_FFLAGS_value=$FFLAGS +ac_cv_env_FFLAGS_set=${FFLAGS+set} +ac_cv_env_FFLAGS_value=$FFLAGS +# +# Report the --help message. +# +if test "$ac_init_help" = "long"; then + # Omit some internal or obsolete options to make the list less imposing. + # This message is too long to be a string in the A/UX 3.1 sh. + cat <<_ACEOF +\`configure' configures this package to adapt to many kinds of systems. + +Usage: $0 [OPTION]... [VAR=VALUE]... + +To assign environment variables (e.g., CC, CFLAGS...), specify them as +VAR=VALUE. See below for descriptions of some of the useful variables. + +Defaults for the options are specified in brackets. + +Configuration: + -h, --help display this help and exit + --help=short display options specific to this package + --help=recursive display the short help of all the included packages + -V, --version display version information and exit + -q, --quiet, --silent do not print \`checking...' messages + --cache-file=FILE cache test results in FILE [disabled] + -C, --config-cache alias for \`--cache-file=config.cache' + -n, --no-create do not create output files + --srcdir=DIR find the sources in DIR [configure dir or \`..'] + +_ACEOF + + cat <<_ACEOF +Installation directories: + --prefix=PREFIX install architecture-independent files in PREFIX + [$ac_default_prefix] + --exec-prefix=EPREFIX install architecture-dependent files in EPREFIX + [PREFIX] + +By default, \`make install' will install all the files in +\`$ac_default_prefix/bin', \`$ac_default_prefix/lib' etc. You can specify +an installation prefix other than \`$ac_default_prefix' using \`--prefix', +for instance \`--prefix=\$HOME'. + +For better control, use the options below. + +Fine tuning of the installation directories: + --bindir=DIR user executables [EPREFIX/bin] + --sbindir=DIR system admin executables [EPREFIX/sbin] + --libexecdir=DIR program executables [EPREFIX/libexec] + --datadir=DIR read-only architecture-independent data [PREFIX/share] + --sysconfdir=DIR read-only single-machine data [PREFIX/etc] + --sharedstatedir=DIR modifiable architecture-independent data [PREFIX/com] + --localstatedir=DIR modifiable single-machine data [PREFIX/var] + --libdir=DIR object code libraries [EPREFIX/lib] + --includedir=DIR C header files [PREFIX/include] + --oldincludedir=DIR C header files for non-gcc [/usr/include] + --infodir=DIR info documentation [PREFIX/info] + --mandir=DIR man documentation [PREFIX/man] +_ACEOF + + cat <<\_ACEOF + +System types: + --build=BUILD configure for building on BUILD [guessed] + --host=HOST cross-compile to build programs to run on HOST [BUILD] + --target=TARGET configure for building compilers for TARGET [HOST] +_ACEOF +fi + +if test -n "$ac_init_help"; then + + cat <<\_ACEOF + +Some influential environment variables: + CXX C++ compiler command + CXXFLAGS C++ compiler flags + LDFLAGS linker flags, e.g. -L if you have libraries in a + nonstandard directory + CPPFLAGS C/C++ preprocessor flags, e.g. -I if you have + headers in a nonstandard directory + CC C compiler command + CFLAGS C compiler flags + F77 Fortran 77 compiler command + FFLAGS Fortran 77 compiler flags + +Use these variables to override the choices made by `configure' or to help +it to find libraries and programs with nonstandard names/locations. + +_ACEOF +fi + +if test "$ac_init_help" = "recursive"; then + # If there are subdirs, report their specific --help. + ac_popdir=`pwd` + for ac_dir in : $ac_subdirs_all; do test "x$ac_dir" = x: && continue + test -d $ac_dir || continue + ac_builddir=. + +if test "$ac_dir" != .; then + ac_dir_suffix=/`echo "$ac_dir" | sed 's,^\.[\\/],,'` + # A "../" for each directory in $ac_dir_suffix. + ac_top_builddir=`echo "$ac_dir_suffix" | sed 's,/[^\\/]*,../,g'` +else + ac_dir_suffix= ac_top_builddir= +fi + +case $srcdir in + .) # No --srcdir option. We are building in place. + ac_srcdir=. + if test -z "$ac_top_builddir"; then + ac_top_srcdir=. + else + ac_top_srcdir=`echo $ac_top_builddir | sed 's,/$,,'` + fi ;; + [\\/]* | ?:[\\/]* ) # Absolute path. + ac_srcdir=$srcdir$ac_dir_suffix; + ac_top_srcdir=$srcdir ;; + *) # Relative path. + ac_srcdir=$ac_top_builddir$srcdir$ac_dir_suffix + ac_top_srcdir=$ac_top_builddir$srcdir ;; +esac +# Don't blindly perform a `cd "$ac_dir"/$ac_foo && pwd` since $ac_foo can be +# absolute. +ac_abs_builddir=`cd "$ac_dir" && cd $ac_builddir && pwd` +ac_abs_top_builddir=`cd "$ac_dir" && cd ${ac_top_builddir}. && pwd` +ac_abs_srcdir=`cd "$ac_dir" && cd $ac_srcdir && pwd` +ac_abs_top_srcdir=`cd "$ac_dir" && cd $ac_top_srcdir && pwd` + + cd $ac_dir + # Check for guested configure; otherwise get Cygnus style configure. + if test -f $ac_srcdir/configure.gnu; then + echo + $SHELL $ac_srcdir/configure.gnu --help=recursive + elif test -f $ac_srcdir/configure; then + echo + $SHELL $ac_srcdir/configure --help=recursive + elif test -f $ac_srcdir/configure.ac || + test -f $ac_srcdir/configure.in; then + echo + $ac_configure --help + else + echo "$as_me: WARNING: no configuration information is in $ac_dir" >&2 + fi + cd $ac_popdir + done +fi + +test -n "$ac_init_help" && exit 0 +if $ac_init_version; then + cat <<\_ACEOF + +Copyright 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001, 2002 +Free Software Foundation, Inc. +This configure script is free software; the Free Software Foundation +gives unlimited permission to copy, distribute and modify it. +_ACEOF + exit 0 +fi +exec 5>config.log +cat >&5 <<_ACEOF +This file contains any messages produced by compilers while +running configure, to aid debugging if configure makes a mistake. + +It was created by $as_me, which was +generated by GNU Autoconf 2.57. Invocation command line was + + $ $0 $@ + +_ACEOF +{ +cat <<_ASUNAME +## --------- ## +## Platform. ## +## --------- ## + +hostname = `(hostname || uname -n) 2>/dev/null | sed 1q` +uname -m = `(uname -m) 2>/dev/null || echo unknown` +uname -r = `(uname -r) 2>/dev/null || echo unknown` +uname -s = `(uname -s) 2>/dev/null || echo unknown` +uname -v = `(uname -v) 2>/dev/null || echo unknown` + +/usr/bin/uname -p = `(/usr/bin/uname -p) 2>/dev/null || echo unknown` +/bin/uname -X = `(/bin/uname -X) 2>/dev/null || echo unknown` + +/bin/arch = `(/bin/arch) 2>/dev/null || echo unknown` +/usr/bin/arch -k = `(/usr/bin/arch -k) 2>/dev/null || echo unknown` +/usr/convex/getsysinfo = `(/usr/convex/getsysinfo) 2>/dev/null || echo unknown` +hostinfo = `(hostinfo) 2>/dev/null || echo unknown` +/bin/machine = `(/bin/machine) 2>/dev/null || echo unknown` +/usr/bin/oslevel = `(/usr/bin/oslevel) 2>/dev/null || echo unknown` +/bin/universe = `(/bin/universe) 2>/dev/null || echo unknown` + +_ASUNAME + +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + echo "PATH: $as_dir" +done + +} >&5 + +cat >&5 <<_ACEOF + + +## ----------- ## +## Core tests. ## +## ----------- ## + +_ACEOF + + +# Keep a trace of the command line. +# Strip out --no-create and --no-recursion so they do not pile up. +# Strip out --silent because we don't want to record it for future runs. +# Also quote any args containing shell meta-characters. +# Make two passes to allow for proper duplicate-argument suppression. +ac_configure_args= +ac_configure_args0= +ac_configure_args1= +ac_sep= +ac_must_keep_next=false +for ac_pass in 1 2 +do + for ac_arg + do + case $ac_arg in + -no-create | --no-c* | -n | -no-recursion | --no-r*) continue ;; + -q | -quiet | --quiet | --quie | --qui | --qu | --q \ + | -silent | --silent | --silen | --sile | --sil) + continue ;; + *" "*|*" "*|*[\[\]\~\#\$\^\&\*\(\)\{\}\\\|\;\<\>\?\"\']*) + ac_arg=`echo "$ac_arg" | sed "s/'/'\\\\\\\\''/g"` ;; + esac + case $ac_pass in + 1) ac_configure_args0="$ac_configure_args0 '$ac_arg'" ;; + 2) + ac_configure_args1="$ac_configure_args1 '$ac_arg'" + if test $ac_must_keep_next = true; then + ac_must_keep_next=false # Got value, back to normal. + else + case $ac_arg in + *=* | --config-cache | -C | -disable-* | --disable-* \ + | -enable-* | --enable-* | -gas | --g* | -nfp | --nf* \ + | -q | -quiet | --q* | -silent | --sil* | -v | -verb* \ + | -with-* | --with-* | -without-* | --without-* | --x) + case "$ac_configure_args0 " in + "$ac_configure_args1"*" '$ac_arg' "* ) continue ;; + esac + ;; + -* ) ac_must_keep_next=true ;; + esac + fi + ac_configure_args="$ac_configure_args$ac_sep'$ac_arg'" + # Get rid of the leading space. + ac_sep=" " + ;; + esac + done +done +$as_unset ac_configure_args0 || test "${ac_configure_args0+set}" != set || { ac_configure_args0=; export ac_configure_args0; } +$as_unset ac_configure_args1 || test "${ac_configure_args1+set}" != set || { ac_configure_args1=; export ac_configure_args1; } + +# When interrupted or exit'd, cleanup temporary files, and complete +# config.log. We remove comments because anyway the quotes in there +# would cause problems or look ugly. +# WARNING: Be sure not to use single quotes in there, as some shells, +# such as our DU 5.0 friend, will then `close' the trap. +trap 'exit_status=$? + # Save into config.log some information that might help in debugging. + { + echo + + cat <<\_ASBOX +## ---------------- ## +## Cache variables. ## +## ---------------- ## +_ASBOX + echo + # The following way of writing the cache mishandles newlines in values, +{ + (set) 2>&1 | + case `(ac_space='"'"' '"'"'; set | grep ac_space) 2>&1` in + *ac_space=\ *) + sed -n \ + "s/'"'"'/'"'"'\\\\'"'"''"'"'/g; + s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1='"'"'\\2'"'"'/p" + ;; + *) + sed -n \ + "s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1=\\2/p" + ;; + esac; +} + echo + + cat <<\_ASBOX +## ----------------- ## +## Output variables. ## +## ----------------- ## +_ASBOX + echo + for ac_var in $ac_subst_vars + do + eval ac_val=$`echo $ac_var` + echo "$ac_var='"'"'$ac_val'"'"'" + done | sort + echo + + if test -n "$ac_subst_files"; then + cat <<\_ASBOX +## ------------- ## +## Output files. ## +## ------------- ## +_ASBOX + echo + for ac_var in $ac_subst_files + do + eval ac_val=$`echo $ac_var` + echo "$ac_var='"'"'$ac_val'"'"'" + done | sort + echo + fi + + if test -s confdefs.h; then + cat <<\_ASBOX +## ----------- ## +## confdefs.h. ## +## ----------- ## +_ASBOX + echo + sed "/^$/d" confdefs.h | sort + echo + fi + test "$ac_signal" != 0 && + echo "$as_me: caught signal $ac_signal" + echo "$as_me: exit $exit_status" + } >&5 + rm -f core core.* *.core && + rm -rf conftest* confdefs* conf$$* $ac_clean_files && + exit $exit_status + ' 0 +for ac_signal in 1 2 13 15; do + trap 'ac_signal='$ac_signal'; { (exit 1); exit 1; }' $ac_signal +done +ac_signal=0 + +# confdefs.h avoids OS command line length limits that DEFS can exceed. +rm -rf conftest* confdefs.h +# AIX cpp loses on an empty file, so make sure it contains at least a newline. +echo >confdefs.h + +# Predefined preprocessor variables. + +cat >>confdefs.h <<_ACEOF +#define PACKAGE_NAME "$PACKAGE_NAME" +_ACEOF + + +cat >>confdefs.h <<_ACEOF +#define PACKAGE_TARNAME "$PACKAGE_TARNAME" +_ACEOF + + +cat >>confdefs.h <<_ACEOF +#define PACKAGE_VERSION "$PACKAGE_VERSION" +_ACEOF + + +cat >>confdefs.h <<_ACEOF +#define PACKAGE_STRING "$PACKAGE_STRING" +_ACEOF + + +cat >>confdefs.h <<_ACEOF +#define PACKAGE_BUGREPORT "$PACKAGE_BUGREPORT" +_ACEOF + + +# Let the site file select an alternate cache file if it wants to. # Prefer explicitly selected file to automatically selected ones. if test -z "$CONFIG_SITE"; then if test "x$prefix" != xNONE; then @@ -486,35 +1135,91 @@ if test -z "$CONFIG_SITE"; then fi for ac_site_file in $CONFIG_SITE; do if test -r "$ac_site_file"; then - echo "loading site script $ac_site_file" + { echo "$as_me:$LINENO: loading site script $ac_site_file" >&5 +echo "$as_me: loading site script $ac_site_file" >&6;} + sed 's/^/| /' "$ac_site_file" >&5 . "$ac_site_file" fi done -ac_ext=c -# CFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. -ac_cpp='$CPP $CPPFLAGS' -ac_compile='${CC-cc} -c $CFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CC-cc} -o conftest${ac_exeext} $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cc_cross - -ac_exeext= -ac_objext=o -if (echo "testing\c"; echo 1,2,3) | grep c >/dev/null; then - # Stardent Vistra SVR4 grep lacks -e, says ghazi@caip.rutgers.edu. - if (echo -n testing; echo 1,2,3) | sed s/-n/xn/ | grep xn >/dev/null; then - ac_n= ac_c=' -' ac_t=' ' - else - ac_n=-n ac_c= ac_t= +# Check that the precious variables saved in the cache have kept the same +# value. +ac_cache_corrupted=false +for ac_var in `(set) 2>&1 | + sed -n 's/^ac_env_\([a-zA-Z_0-9]*\)_set=.*/\1/p'`; do + eval ac_old_set=\$ac_cv_env_${ac_var}_set + eval ac_new_set=\$ac_env_${ac_var}_set + eval ac_old_val="\$ac_cv_env_${ac_var}_value" + eval ac_new_val="\$ac_env_${ac_var}_value" + case $ac_old_set,$ac_new_set in + set,) + { echo "$as_me:$LINENO: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&5 +echo "$as_me: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&2;} + ac_cache_corrupted=: ;; + ,set) + { echo "$as_me:$LINENO: error: \`$ac_var' was not set in the previous run" >&5 +echo "$as_me: error: \`$ac_var' was not set in the previous run" >&2;} + ac_cache_corrupted=: ;; + ,);; + *) + if test "x$ac_old_val" != "x$ac_new_val"; then + { echo "$as_me:$LINENO: error: \`$ac_var' has changed since the previous run:" >&5 +echo "$as_me: error: \`$ac_var' has changed since the previous run:" >&2;} + { echo "$as_me:$LINENO: former value: $ac_old_val" >&5 +echo "$as_me: former value: $ac_old_val" >&2;} + { echo "$as_me:$LINENO: current value: $ac_new_val" >&5 +echo "$as_me: current value: $ac_new_val" >&2;} + ac_cache_corrupted=: + fi;; + esac + # Pass precious variables to config.status. + if test "$ac_new_set" = set; then + case $ac_new_val in + *" "*|*" "*|*[\[\]\~\#\$\^\&\*\(\)\{\}\\\|\;\<\>\?\"\']*) + ac_arg=$ac_var=`echo "$ac_new_val" | sed "s/'/'\\\\\\\\''/g"` ;; + *) ac_arg=$ac_var=$ac_new_val ;; + esac + case " $ac_configure_args " in + *" '$ac_arg' "*) ;; # Avoid dups. Use of quotes ensures accuracy. + *) ac_configure_args="$ac_configure_args '$ac_arg'" ;; + esac fi -else - ac_n= ac_c='\c' ac_t= +done +if $ac_cache_corrupted; then + { echo "$as_me:$LINENO: error: changes in the environment can compromise the build" >&5 +echo "$as_me: error: changes in the environment can compromise the build" >&2;} + { { echo "$as_me:$LINENO: error: run \`make distclean' and/or \`rm $cache_file' and start over" >&5 +echo "$as_me: error: run \`make distclean' and/or \`rm $cache_file' and start over" >&2;} + { (exit 1); exit 1; }; } fi +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu + + + + + + + + + + + + + + + + + + ac_config_headers="$ac_config_headers ../config.h" + ac_aux_dir= for ac_dir in . $srcdir/.; do if test -f $ac_dir/install-sh; then @@ -525,27 +1230,33 @@ for ac_dir in . $srcdir/.; do ac_aux_dir=$ac_dir ac_install_sh="$ac_aux_dir/install.sh -c" break + elif test -f $ac_dir/shtool; then + ac_aux_dir=$ac_dir + ac_install_sh="$ac_aux_dir/shtool install -c" + break fi done if test -z "$ac_aux_dir"; then - { echo "configure: error: can not find install-sh or install.sh in . $srcdir/." 1>&2; exit 1; } + { { echo "$as_me:$LINENO: error: cannot find install-sh or install.sh in . $srcdir/." >&5 +echo "$as_me: error: cannot find install-sh or install.sh in . $srcdir/." >&2;} + { (exit 1); exit 1; }; } fi -ac_config_guess=$ac_aux_dir/config.guess -ac_config_sub=$ac_aux_dir/config.sub -ac_configure=$ac_aux_dir/configure # This should be Cygnus configure. +ac_config_guess="$SHELL $ac_aux_dir/config.guess" +ac_config_sub="$SHELL $ac_aux_dir/config.sub" +ac_configure="$SHELL $ac_aux_dir/configure" # This should be Cygnus configure. echo echo "--------------------------------------------------------------" -echo +echo echo " Cantera Configuration Script " -echo +echo echo "--------------------------------------------------------------" echo -cat >> confdefs.h <<\EOF +cat >>confdefs.h <<\_ACEOF #define NDEBUG 1 -EOF +_ACEOF ac_sys_system=`uname -s` @@ -585,14 +1296,14 @@ if test "x${prefix}" = "xNONE"; then fi local_inst=0 # if test ! -d ${prefix}; then -# echo +# echo # echo "********************************************************************" # echo "Installation directory ${prefix} does not exist. Either create it and" # echo "re-run configure, or specify another installation directory using the" # echo "prefix option:" # echo " ./configure --prefix=" # echo "********************************************************************" -# exit 1 +# exit 1 #fi fi @@ -626,7 +1337,7 @@ ctversion=${CANTERA_VERSION} homedir=${HOME} -if test -z $local_inst; then +if test -z $local_inst; then ct_libdir=${prefix}/lib/cantera/${ctversion} ct_incdir=${prefix}/include/cantera ct_incroot=${prefix}/include @@ -694,96 +1405,89 @@ if test -z "$CANTERA_EXAMPLES_DIR"; then CANTERA_EXAMPLES_DIR=$CANTERA_ROOT/exam +# Make sure we can run config.sub. +$ac_config_sub sun4 >/dev/null 2>&1 || + { { echo "$as_me:$LINENO: error: cannot run $ac_config_sub" >&5 +echo "$as_me: error: cannot run $ac_config_sub" >&2;} + { (exit 1); exit 1; }; } + +echo "$as_me:$LINENO: checking build system type" >&5 +echo $ECHO_N "checking build system type... $ECHO_C" >&6 +if test "${ac_cv_build+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + ac_cv_build_alias=$build_alias +test -z "$ac_cv_build_alias" && + ac_cv_build_alias=`$ac_config_guess` +test -z "$ac_cv_build_alias" && + { { echo "$as_me:$LINENO: error: cannot guess build type; you must specify one" >&5 +echo "$as_me: error: cannot guess build type; you must specify one" >&2;} + { (exit 1); exit 1; }; } +ac_cv_build=`$ac_config_sub $ac_cv_build_alias` || + { { echo "$as_me:$LINENO: error: $ac_config_sub $ac_cv_build_alias failed" >&5 +echo "$as_me: error: $ac_config_sub $ac_cv_build_alias failed" >&2;} + { (exit 1); exit 1; }; } + +fi +echo "$as_me:$LINENO: result: $ac_cv_build" >&5 +echo "${ECHO_T}$ac_cv_build" >&6 +build=$ac_cv_build +build_cpu=`echo $ac_cv_build | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\1/'` +build_vendor=`echo $ac_cv_build | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\2/'` +build_os=`echo $ac_cv_build | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\3/'` + + +echo "$as_me:$LINENO: checking host system type" >&5 +echo $ECHO_N "checking host system type... $ECHO_C" >&6 +if test "${ac_cv_host+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + ac_cv_host_alias=$host_alias +test -z "$ac_cv_host_alias" && + ac_cv_host_alias=$ac_cv_build_alias +ac_cv_host=`$ac_config_sub $ac_cv_host_alias` || + { { echo "$as_me:$LINENO: error: $ac_config_sub $ac_cv_host_alias failed" >&5 +echo "$as_me: error: $ac_config_sub $ac_cv_host_alias failed" >&2;} + { (exit 1); exit 1; }; } + +fi +echo "$as_me:$LINENO: result: $ac_cv_host" >&5 +echo "${ECHO_T}$ac_cv_host" >&6 +host=$ac_cv_host +host_cpu=`echo $ac_cv_host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\1/'` +host_vendor=`echo $ac_cv_host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\2/'` +host_os=`echo $ac_cv_host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\3/'` + + +echo "$as_me:$LINENO: checking target system type" >&5 +echo $ECHO_N "checking target system type... $ECHO_C" >&6 +if test "${ac_cv_target+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + ac_cv_target_alias=$target_alias +test "x$ac_cv_target_alias" = "x" && + ac_cv_target_alias=$ac_cv_host_alias +ac_cv_target=`$ac_config_sub $ac_cv_target_alias` || + { { echo "$as_me:$LINENO: error: $ac_config_sub $ac_cv_target_alias failed" >&5 +echo "$as_me: error: $ac_config_sub $ac_cv_target_alias failed" >&2;} + { (exit 1); exit 1; }; } + +fi +echo "$as_me:$LINENO: result: $ac_cv_target" >&5 +echo "${ECHO_T}$ac_cv_target" >&6 +target=$ac_cv_target +target_cpu=`echo $ac_cv_target | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\1/'` +target_vendor=`echo $ac_cv_target | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\2/'` +target_os=`echo $ac_cv_target | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\3/'` -# Do some error checking and defaulting for the host and target type. -# The inputs are: -# configure --host=HOST --target=TARGET --build=BUILD NONOPT -# -# The rules are: -# 1. You are not allowed to specify --host, --target, and nonopt at the -# same time. -# 2. Host defaults to nonopt. -# 3. If nonopt is not specified, then host defaults to the current host, -# as determined by config.guess. -# 4. Target and build default to nonopt. -# 5. If nonopt is not specified, then target and build default to host. # The aliases save the names the user supplied, while $host etc. # will get canonicalized. -case $host---$target---$nonopt in -NONE---*---* | *---NONE---* | *---*---NONE) ;; -*) { echo "configure: error: can only configure for one host and one target at a time" 1>&2; exit 1; } ;; -esac - - -# Make sure we can run config.sub. -if ${CONFIG_SHELL-/bin/sh} $ac_config_sub sun4 >/dev/null 2>&1; then : -else { echo "configure: error: can not run $ac_config_sub" 1>&2; exit 1; } -fi - -echo $ac_n "checking host system type""... $ac_c" 1>&6 -echo "configure:726: checking host system type" >&5 - -host_alias=$host -case "$host_alias" in -NONE) - case $nonopt in - NONE) - if host_alias=`${CONFIG_SHELL-/bin/sh} $ac_config_guess`; then : - else { echo "configure: error: can not guess host type; you must specify one" 1>&2; exit 1; } - fi ;; - *) host_alias=$nonopt ;; - esac ;; -esac - -host=`${CONFIG_SHELL-/bin/sh} $ac_config_sub $host_alias` -host_cpu=`echo $host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\1/'` -host_vendor=`echo $host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\2/'` -host_os=`echo $host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\3/'` -echo "$ac_t""$host" 1>&6 - -echo $ac_n "checking target system type""... $ac_c" 1>&6 -echo "configure:747: checking target system type" >&5 - -target_alias=$target -case "$target_alias" in -NONE) - case $nonopt in - NONE) target_alias=$host_alias ;; - *) target_alias=$nonopt ;; - esac ;; -esac - -target=`${CONFIG_SHELL-/bin/sh} $ac_config_sub $target_alias` -target_cpu=`echo $target | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\1/'` -target_vendor=`echo $target | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\2/'` -target_os=`echo $target | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\3/'` -echo "$ac_t""$target" 1>&6 - -echo $ac_n "checking build system type""... $ac_c" 1>&6 -echo "configure:765: checking build system type" >&5 - -build_alias=$build -case "$build_alias" in -NONE) - case $nonopt in - NONE) build_alias=$host_alias ;; - *) build_alias=$nonopt ;; - esac ;; -esac - -build=`${CONFIG_SHELL-/bin/sh} $ac_config_sub $build_alias` -build_cpu=`echo $build | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\1/'` -build_vendor=`echo $build | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\2/'` -build_os=`echo $build | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\3/'` -echo "$ac_t""$build" 1>&6 - -test "$host_alias" != "$target_alias" && +test -n "$target_alias" && test "$program_prefix$program_suffix$program_transform_name" = \ NONENONEs,x,x, && program_prefix=${target_alias}- - ctroot=`(cd ..;pwd)` builddir=$target if test "x${OS_IS_WIN}" = "x1"; then @@ -793,7 +1497,7 @@ fi if test -z "$username"; then username=$USER; fi - + buildinc=$ctroot/build/include @@ -805,21 +1509,21 @@ buildlib=$ctroot/build/lib/$builddir buildbin=$ctroot/build/bin/$builddir -cat >> confdefs.h <>confdefs.h <<_ACEOF #define DARWIN $OS_IS_DARWIN -EOF +_ACEOF -cat >> confdefs.h <>confdefs.h <<_ACEOF #define RXNPATH_FONT "$RPFONT" -EOF +_ACEOF -cat >> confdefs.h <>confdefs.h <<_ACEOF #define CANTERA_ROOT "$prefix/cantera" -EOF +_ACEOF -cat >> confdefs.h <>confdefs.h <<_ACEOF #define CANTERA_DATA "$ct_datadir" -EOF +_ACEOF if test -z "$MAKE"; then MAKE='make'; fi @@ -888,7 +1592,7 @@ if test "$ENABLE_THERMO" = "y"; then KERNEL=$KERNEL' 'thermo; fi if test "$ENABLE_KINETICS" = "y"; then KERNEL=$KERNEL' 'kinetics; fi if test "$ENABLE_CK" = "y" -then +then #KERNEL=$KERNEL' 'ck BUILD_CK=1 NEED_CKREADER=1 @@ -936,9 +1640,9 @@ fi if test "$ENABLE_TPX" = "y" then KERNEL=$KERNEL' 'tpx NEED_TPX=1 -cat >> confdefs.h <<\EOF +cat >>confdefs.h <<\_ACEOF #define INCL_PURE_FLUIDS 1 -EOF +_ACEOF fi @@ -964,7 +1668,7 @@ if test -z "$BLAS_LIBRARY"; then BLAS_LIBRARY=-lctblas; build_blas=1; fi -LOCAL_LIBS= +LOCAL_LIBS= if test -n "$INCL_USER_CODE" then LOCAL_LIBS=$LOCAL_LIBS' '-luser @@ -1048,103 +1752,118 @@ fi BUILD_CLIB=1 -# +# # Python Interface # -BUILD_PYTHON=1 +BUILD_PYTHON=0 +if test "x$PYTHON_PACKAGE" = "xfull"; then + BUILD_PYTHON=2 +elif test "x$PYTHON_PACKAGE" = "xminimal"; then + BUILD_PYTHON=1 +fi + WIN_PYTHON_CMD=python -if test -z "$PYTHON_CMD"; then +if test $BUILD_PYTHON -gt 0; then +if test -z "$PYTHON_CMD"; then for ac_prog in python2 python do -# Extract the first word of "$ac_prog", so it can be a program name with args. + # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1063: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_path_PYTHON_CMD'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_path_PYTHON_CMD+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - case "$PYTHON_CMD" in - /*) + case $PYTHON_CMD in + [\\/]* | ?:[\\/]*) ac_cv_path_PYTHON_CMD="$PYTHON_CMD" # Let the user override the test with a path. ;; - ?:/*) - ac_cv_path_PYTHON_CMD="$PYTHON_CMD" # Let the user override the test with a dos path. - ;; *) - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_path_PYTHON_CMD="$ac_dir/$ac_word" - break - fi - done - IFS="$ac_save_ifs" + as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_path_PYTHON_CMD="$as_dir/$ac_word$ac_exec_ext" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + ;; esac fi -PYTHON_CMD="$ac_cv_path_PYTHON_CMD" +PYTHON_CMD=$ac_cv_path_PYTHON_CMD + if test -n "$PYTHON_CMD"; then - echo "$ac_t""$PYTHON_CMD" 1>&6 + echo "$as_me:$LINENO: result: $PYTHON_CMD" >&5 +echo "${ECHO_T}$PYTHON_CMD" >&6 else - echo "$ac_t""no" 1>&6 + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 fi -test -n "$PYTHON_CMD" && break + test -n "$PYTHON_CMD" && break done test -n "$PYTHON_CMD" || PYTHON_CMD=""none"" if test "x$OS_IS_WIN" = "x1"; then - for ac_prog in pythonw python + for ac_prog in python do -# Extract the first word of "$ac_prog", so it can be a program name with args. + # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1105: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_path_WIN_PYTHON_CMD'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_path_WIN_PYTHON_CMD+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - case "$WIN_PYTHON_CMD" in - /*) + case $WIN_PYTHON_CMD in + [\\/]* | ?:[\\/]*) ac_cv_path_WIN_PYTHON_CMD="$WIN_PYTHON_CMD" # Let the user override the test with a path. ;; - ?:/*) - ac_cv_path_WIN_PYTHON_CMD="$WIN_PYTHON_CMD" # Let the user override the test with a dos path. - ;; *) - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_path_WIN_PYTHON_CMD="$ac_dir/$ac_word" - break - fi - done - IFS="$ac_save_ifs" + as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_path_WIN_PYTHON_CMD="$as_dir/$ac_word$ac_exec_ext" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + ;; esac fi -WIN_PYTHON_CMD="$ac_cv_path_WIN_PYTHON_CMD" +WIN_PYTHON_CMD=$ac_cv_path_WIN_PYTHON_CMD + if test -n "$WIN_PYTHON_CMD"; then - echo "$ac_t""$WIN_PYTHON_CMD" 1>&6 + echo "$as_me:$LINENO: result: $WIN_PYTHON_CMD" >&5 +echo "${ECHO_T}$WIN_PYTHON_CMD" >&6 else - echo "$ac_t""no" 1>&6 + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 fi -test -n "$WIN_PYTHON_CMD" && break + test -n "$WIN_PYTHON_CMD" && break done test -n "$WIN_PYTHON_CMD" || WIN_PYTHON_CMD=""none"" WIN_PYTHON_CMD=`cygpath -a -w "$WIN_PYTHON_CMD" | sed 's/\\\/\\//g'` echo "Windows Python command: $WIN_PYTHON_CMD" - fi + fi else echo "Python command preset to $PYTHON_CMD" fi if test "$PYTHON_CMD" = "none"; then - echo + echo echo "********************************************************************" echo "Configuration error. Python is required to build Cantera, but it" echo "cannot be found. Set environment variable PYTHON_CMD to the full path to" @@ -1152,59 +1871,68 @@ if test "$PYTHON_CMD" = "none"; then echo "********************************************************************" exit 1 fi +else + PYTHON_CMD=none + WIN_PYTHON_CMD=none +fi + if test "x$OS_IS_WIN" = "x1"; then -cat >> confdefs.h <>confdefs.h <<_ACEOF #define PYTHON_EXE "$WIN_PYTHON_CMD" -EOF +_ACEOF else -cat >> confdefs.h <>confdefs.h <<_ACEOF #define PYTHON_EXE "$PYTHON_CMD" -EOF +_ACEOF fi -# +# # Matlab Interface # BUILD_MATLAB=0 -if test "$BUILD_MATLAB_TOOLBOX" != "n"; then +if test "$BUILD_MATLAB_TOOLBOX" != "n"; then if test -z "$MATLAB_CMD"; then # Extract the first word of "matlab", so it can be a program name with args. set dummy matlab; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1178: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_path_MATLAB_CMD'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_path_MATLAB_CMD+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - case "$MATLAB_CMD" in - /*) + case $MATLAB_CMD in + [\\/]* | ?:[\\/]*) ac_cv_path_MATLAB_CMD="$MATLAB_CMD" # Let the user override the test with a path. ;; - ?:/*) - ac_cv_path_MATLAB_CMD="$MATLAB_CMD" # Let the user override the test with a dos path. - ;; *) - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_path_MATLAB_CMD="$ac_dir/$ac_word" - break - fi - done - IFS="$ac_save_ifs" + as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_path_MATLAB_CMD="$as_dir/$ac_word$ac_exec_ext" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + test -z "$ac_cv_path_MATLAB_CMD" && ac_cv_path_MATLAB_CMD=""none"" ;; esac fi -MATLAB_CMD="$ac_cv_path_MATLAB_CMD" +MATLAB_CMD=$ac_cv_path_MATLAB_CMD + if test -n "$MATLAB_CMD"; then - echo "$ac_t""$MATLAB_CMD" 1>&6 + echo "$as_me:$LINENO: result: $MATLAB_CMD" >&5 +echo "${ECHO_T}$MATLAB_CMD" >&6 else - echo "$ac_t""no" 1>&6 + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 fi if test "$MATLAB_CMD" != "none"; then BUILD_MATLAB=1; BUILD_CLIB=1; fi @@ -1215,7 +1943,7 @@ fi if test "x$OS_IS_WIN" = "x1"; then MATLAB_CMD=`cygpath -a -w "$MATLAB_CMD" | sed 's/\\\/\\//g'` echo "Windows MATLAB command: ${MATLAB_CMD}" -fi +fi @@ -1233,60 +1961,73 @@ export_name=$target # SunOS /usr/etc/install # IRIX /sbin/install # AIX /bin/install +# AmigaOS /C/install, which installs bootblocks on floppy discs # AIX 4 /usr/bin/installbsd, which doesn't work without a -g flag # AFS /usr/afsws/bin/install, which mishandles nonexistent args # SVR4 /usr/ucb/install, which tries to use the nonexistent group "staff" # ./install, which can be erroneously created by make from ./install.sh. -echo $ac_n "checking for a BSD compatible install""... $ac_c" 1>&6 -echo "configure:1242: checking for a BSD compatible install" >&5 +echo "$as_me:$LINENO: checking for a BSD-compatible install" >&5 +echo $ECHO_N "checking for a BSD-compatible install... $ECHO_C" >&6 if test -z "$INSTALL"; then -if eval "test \"`echo '$''{'ac_cv_path_install'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +if test "${ac_cv_path_install+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - IFS="${IFS= }"; ac_save_IFS="$IFS"; IFS=":" - for ac_dir in $PATH; do - # Account for people who put trailing slashes in PATH elements. - case "$ac_dir/" in - /|./|.//|/etc/*|/usr/sbin/*|/usr/etc/*|/sbin/*|/usr/afsws/bin/*|/usr/ucb/*) ;; - *) - # OSF1 and SCO ODT 3.0 have their own names for install. - # Don't use installbsd from OSF since it installs stuff as root - # by default. - for ac_prog in ginstall scoinst install; do - if test -f $ac_dir/$ac_prog; then - if test $ac_prog = install && - grep dspmsg $ac_dir/$ac_prog >/dev/null 2>&1; then - # AIX install. It has an incompatible calling convention. - : - else - ac_cv_path_install="$ac_dir/$ac_prog -c" - break 2 - fi - fi + as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + # Account for people who put trailing slashes in PATH elements. +case $as_dir/ in + ./ | .// | /cC/* | \ + /etc/* | /usr/sbin/* | /usr/etc/* | /sbin/* | /usr/afsws/bin/* | \ + /usr/ucb/* ) ;; + *) + # OSF1 and SCO ODT 3.0 have their own names for install. + # Don't use installbsd from OSF since it installs stuff as root + # by default. + for ac_prog in ginstall scoinst install; do + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_prog$ac_exec_ext"; then + if test $ac_prog = install && + grep dspmsg "$as_dir/$ac_prog$ac_exec_ext" >/dev/null 2>&1; then + # AIX install. It has an incompatible calling convention. + : + elif test $ac_prog = install && + grep pwplus "$as_dir/$ac_prog$ac_exec_ext" >/dev/null 2>&1; then + # program-specific install script used by HP pwplus--don't use. + : + else + ac_cv_path_install="$as_dir/$ac_prog$ac_exec_ext -c" + break 3 + fi + fi done - ;; - esac - done - IFS="$ac_save_IFS" + done + ;; +esac +done + fi if test "${ac_cv_path_install+set}" = set; then - INSTALL="$ac_cv_path_install" + INSTALL=$ac_cv_path_install else # As a last resort, use the slow shell script. We don't cache a # path for INSTALL within a source directory, because that will # break other packages using the cache if that directory is # removed, or if the path is relative. - INSTALL="$ac_install_sh" + INSTALL=$ac_install_sh fi fi -echo "$ac_t""$INSTALL" 1>&6 +echo "$as_me:$LINENO: result: $INSTALL" >&5 +echo "${ECHO_T}$INSTALL" >&6 # Use test -z because SunOS4 sh mishandles braces in ${var-val}. # It thinks the first close brace ends the variable substitution. test -z "$INSTALL_PROGRAM" && INSTALL_PROGRAM='${INSTALL}' -test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL_PROGRAM}' +test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL}' test -z "$INSTALL_DATA" && INSTALL_DATA='${INSTALL} -m 644' @@ -1296,135 +2037,421 @@ CXX=cl.exe CC=cl.exe else -for ac_prog in $CCC c++ g++ gcc CC cxx cc++ cl -do -# Extract the first word of "$ac_prog", so it can be a program name with args. -set dummy $ac_prog; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1305: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_CXX'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +ac_ext=cc +ac_cpp='$CXXCPP $CPPFLAGS' +ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_cxx_compiler_gnu +if test -n "$ac_tool_prefix"; then + for ac_prog in $CCC g++ c++ gpp aCC CC cxx cc++ cl FCC KCC RCC xlC_r xlC + do + # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. +set dummy $ac_tool_prefix$ac_prog; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_CXX+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else if test -n "$CXX"; then ac_cv_prog_CXX="$CXX" # Let the user override the test. else - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_prog_CXX="$ac_prog" - break - fi - done - IFS="$ac_save_ifs" -fi -fi -CXX="$ac_cv_prog_CXX" -if test -n "$CXX"; then - echo "$ac_t""$CXX" 1>&6 -else - echo "$ac_t""no" 1>&6 -fi - -test -n "$CXX" && break -done -test -n "$CXX" || CXX="gcc" - - -echo $ac_n "checking whether the C++ compiler ($CXX $CXXFLAGS $LDFLAGS) works""... $ac_c" 1>&6 -echo "configure:1337: checking whether the C++ compiler ($CXX $CXXFLAGS $LDFLAGS) works" >&5 - -ac_ext=C -# CXXFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. -ac_cpp='$CXXCPP $CPPFLAGS' -ac_compile='${CXX-g++} -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CXX-g++} -o conftest${ac_exeext} $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cxx_cross - -cat > conftest.$ac_ext << EOF - -#line 1348 "configure" -#include "confdefs.h" - -int main(){return(0);} -EOF -if { (eval echo configure:1353: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then - ac_cv_prog_cxx_works=yes - # If we can't run a trivial program, we are probably using a cross compiler. - if (./conftest; exit) 2>/dev/null; then - ac_cv_prog_cxx_cross=no - else - ac_cv_prog_cxx_cross=yes +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_CXX="$ac_tool_prefix$ac_prog" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 fi -else - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - ac_cv_prog_cxx_works=no -fi -rm -fr conftest* -ac_ext=c -# CFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. -ac_cpp='$CPP $CPPFLAGS' -ac_compile='${CC-cc} -c $CFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CC-cc} -o conftest${ac_exeext} $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cc_cross +done +done -echo "$ac_t""$ac_cv_prog_cxx_works" 1>&6 -if test $ac_cv_prog_cxx_works = no; then - { echo "configure: error: installation or configuration problem: C++ compiler cannot create executables." 1>&2; exit 1; } fi -echo $ac_n "checking whether the C++ compiler ($CXX $CXXFLAGS $LDFLAGS) is a cross-compiler""... $ac_c" 1>&6 -echo "configure:1379: checking whether the C++ compiler ($CXX $CXXFLAGS $LDFLAGS) is a cross-compiler" >&5 -echo "$ac_t""$ac_cv_prog_cxx_cross" 1>&6 -cross_compiling=$ac_cv_prog_cxx_cross - -echo $ac_n "checking whether we are using GNU C++""... $ac_c" 1>&6 -echo "configure:1384: checking whether we are using GNU C++" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_gxx'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +fi +CXX=$ac_cv_prog_CXX +if test -n "$CXX"; then + echo "$as_me:$LINENO: result: $CXX" >&5 +echo "${ECHO_T}$CXX" >&6 else - cat > conftest.C <&5 +echo "${ECHO_T}no" >&6 +fi + + test -n "$CXX" && break + done +fi +if test -z "$CXX"; then + ac_ct_CXX=$CXX + for ac_prog in $CCC g++ c++ gpp aCC CC cxx cc++ cl FCC KCC RCC xlC_r xlC +do + # Extract the first word of "$ac_prog", so it can be a program name with args. +set dummy $ac_prog; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_ac_ct_CXX+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + if test -n "$ac_ct_CXX"; then + ac_cv_prog_ac_ct_CXX="$ac_ct_CXX" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_CXX="$ac_prog" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + +fi +fi +ac_ct_CXX=$ac_cv_prog_ac_ct_CXX +if test -n "$ac_ct_CXX"; then + echo "$as_me:$LINENO: result: $ac_ct_CXX" >&5 +echo "${ECHO_T}$ac_ct_CXX" >&6 +else + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 +fi + + test -n "$ac_ct_CXX" && break +done +test -n "$ac_ct_CXX" || ac_ct_CXX="g++" + + CXX=$ac_ct_CXX +fi + + +# Provide some information about the compiler. +echo "$as_me:$LINENO:" \ + "checking for C++ compiler version" >&5 +ac_compiler=`set X $ac_compile; echo $2` +{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version &5\"") >&5 + (eval $ac_compiler --version &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } +{ (eval echo "$as_me:$LINENO: \"$ac_compiler -v &5\"") >&5 + (eval $ac_compiler -v &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } +{ (eval echo "$as_me:$LINENO: \"$ac_compiler -V &5\"") >&5 + (eval $ac_compiler -V &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } + +cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ + +int +main () +{ + + ; + return 0; +} +_ACEOF +ac_clean_files_save=$ac_clean_files +ac_clean_files="$ac_clean_files a.out a.exe b.out" +# Try to create an executable without -o first, disregard a.out. +# It will help us diagnose broken compilers, and finding out an intuition +# of exeext. +echo "$as_me:$LINENO: checking for C++ compiler default output" >&5 +echo $ECHO_N "checking for C++ compiler default output... $ECHO_C" >&6 +ac_link_default=`echo "$ac_link" | sed 's/ -o *conftest[^ ]*//'` +if { (eval echo "$as_me:$LINENO: \"$ac_link_default\"") >&5 + (eval $ac_link_default) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; then + # Find the output, starting from the most likely. This scheme is +# not robust to junk in `.', hence go to wildcards (a.*) only as a last +# resort. + +# Be careful to initialize this variable, since it used to be cached. +# Otherwise an old cache value of `no' led to `EXEEXT = no' in a Makefile. +ac_cv_exeext= +# b.out is created by i960 compilers. +for ac_file in a_out.exe a.exe conftest.exe a.out conftest a.* conftest.* b.out +do + test -f "$ac_file" || continue + case $ac_file in + *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.o | *.obj ) + ;; + conftest.$ac_ext ) + # This is the source file. + ;; + [ab].out ) + # We found the default executable, but exeext='' is most + # certainly right. + break;; + *.* ) + ac_cv_exeext=`expr "$ac_file" : '[^.]*\(\..*\)'` + # FIXME: I believe we export ac_cv_exeext for Libtool, + # but it would be cool to find out if it's true. Does anybody + # maintain Libtool? --akim. + export ac_cv_exeext + break;; + * ) + break;; + esac +done +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +{ { echo "$as_me:$LINENO: error: C++ compiler cannot create executables +See \`config.log' for more details." >&5 +echo "$as_me: error: C++ compiler cannot create executables +See \`config.log' for more details." >&2;} + { (exit 77); exit 77; }; } +fi + +ac_exeext=$ac_cv_exeext +echo "$as_me:$LINENO: result: $ac_file" >&5 +echo "${ECHO_T}$ac_file" >&6 + +# Check the compiler produces executables we can run. If not, either +# the compiler is broken, or we cross compile. +echo "$as_me:$LINENO: checking whether the C++ compiler works" >&5 +echo $ECHO_N "checking whether the C++ compiler works... $ECHO_C" >&6 +# FIXME: These cross compiler hacks should be removed for Autoconf 3.0 +# If not cross compiling, check that we can run a simple program. +if test "$cross_compiling" != yes; then + if { ac_try='./$ac_file' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + cross_compiling=no + else + if test "$cross_compiling" = maybe; then + cross_compiling=yes + else + { { echo "$as_me:$LINENO: error: cannot run C++ compiled programs. +If you meant to cross compile, use \`--host'. +See \`config.log' for more details." >&5 +echo "$as_me: error: cannot run C++ compiled programs. +If you meant to cross compile, use \`--host'. +See \`config.log' for more details." >&2;} + { (exit 1); exit 1; }; } + fi + fi +fi +echo "$as_me:$LINENO: result: yes" >&5 +echo "${ECHO_T}yes" >&6 + +rm -f a.out a.exe conftest$ac_cv_exeext b.out +ac_clean_files=$ac_clean_files_save +# Check the compiler produces executables we can run. If not, either +# the compiler is broken, or we cross compile. +echo "$as_me:$LINENO: checking whether we are cross compiling" >&5 +echo $ECHO_N "checking whether we are cross compiling... $ECHO_C" >&6 +echo "$as_me:$LINENO: result: $cross_compiling" >&5 +echo "${ECHO_T}$cross_compiling" >&6 + +echo "$as_me:$LINENO: checking for suffix of executables" >&5 +echo $ECHO_N "checking for suffix of executables... $ECHO_C" >&6 +if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 + (eval $ac_link) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; then + # If both `conftest.exe' and `conftest' are `present' (well, observable) +# catch `conftest.exe'. For instance with Cygwin, `ls conftest' will +# work properly (i.e., refer to `conftest.exe'), while it won't with +# `rm'. +for ac_file in conftest.exe conftest conftest.*; do + test -f "$ac_file" || continue + case $ac_file in + *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.o | *.obj ) ;; + *.* ) ac_cv_exeext=`expr "$ac_file" : '[^.]*\(\..*\)'` + export ac_cv_exeext + break;; + * ) break;; + esac +done +else + { { echo "$as_me:$LINENO: error: cannot compute suffix of executables: cannot compile and link +See \`config.log' for more details." >&5 +echo "$as_me: error: cannot compute suffix of executables: cannot compile and link +See \`config.log' for more details." >&2;} + { (exit 1); exit 1; }; } +fi + +rm -f conftest$ac_cv_exeext +echo "$as_me:$LINENO: result: $ac_cv_exeext" >&5 +echo "${ECHO_T}$ac_cv_exeext" >&6 + +rm -f conftest.$ac_ext +EXEEXT=$ac_cv_exeext +ac_exeext=$EXEEXT +echo "$as_me:$LINENO: checking for suffix of object files" >&5 +echo $ECHO_N "checking for suffix of object files... $ECHO_C" >&6 +if test "${ac_cv_objext+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ + +int +main () +{ + + ; + return 0; +} +_ACEOF +rm -f conftest.o conftest.obj +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; then + for ac_file in `(ls conftest.o conftest.obj; ls conftest.*) 2>/dev/null`; do + case $ac_file in + *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg ) ;; + *) ac_cv_objext=`expr "$ac_file" : '.*\.\(.*\)'` + break;; + esac +done +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +{ { echo "$as_me:$LINENO: error: cannot compute suffix of object files: cannot compile +See \`config.log' for more details." >&5 +echo "$as_me: error: cannot compute suffix of object files: cannot compile +See \`config.log' for more details." >&2;} + { (exit 1); exit 1; }; } +fi + +rm -f conftest.$ac_cv_objext conftest.$ac_ext +fi +echo "$as_me:$LINENO: result: $ac_cv_objext" >&5 +echo "${ECHO_T}$ac_cv_objext" >&6 +OBJEXT=$ac_cv_objext +ac_objext=$OBJEXT +echo "$as_me:$LINENO: checking whether we are using the GNU C++ compiler" >&5 +echo $ECHO_N "checking whether we are using the GNU C++ compiler... $ECHO_C" >&6 +if test "${ac_cv_cxx_compiler_gnu+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ + +int +main () +{ +#ifndef __GNUC__ + choke me #endif -EOF -if { ac_try='${CXX-g++} -E conftest.C'; { (eval echo configure:1393: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; } | egrep yes >/dev/null 2>&1; then - ac_cv_prog_gxx=yes -else - ac_cv_prog_gxx=no -fi -fi -echo "$ac_t""$ac_cv_prog_gxx" 1>&6 - -if test $ac_cv_prog_gxx = yes; then - GXX=yes + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + ac_compiler_gnu=yes else - GXX= + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +ac_compiler_gnu=no fi +rm -f conftest.$ac_objext conftest.$ac_ext +ac_cv_cxx_compiler_gnu=$ac_compiler_gnu -ac_test_CXXFLAGS="${CXXFLAGS+set}" -ac_save_CXXFLAGS="$CXXFLAGS" -CXXFLAGS= -echo $ac_n "checking whether ${CXX-g++} accepts -g""... $ac_c" 1>&6 -echo "configure:1412: checking whether ${CXX-g++} accepts -g" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_cxx_g'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +fi +echo "$as_me:$LINENO: result: $ac_cv_cxx_compiler_gnu" >&5 +echo "${ECHO_T}$ac_cv_cxx_compiler_gnu" >&6 +GXX=`test $ac_compiler_gnu = yes && echo yes` +ac_test_CXXFLAGS=${CXXFLAGS+set} +ac_save_CXXFLAGS=$CXXFLAGS +CXXFLAGS="-g" +echo "$as_me:$LINENO: checking whether $CXX accepts -g" >&5 +echo $ECHO_N "checking whether $CXX accepts -g... $ECHO_C" >&6 +if test "${ac_cv_prog_cxx_g+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - echo 'void f(){}' > conftest.cc -if test -z "`${CXX-g++} -g -c conftest.cc 2>&1`"; then + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ + +int +main () +{ + + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then ac_cv_prog_cxx_g=yes else - ac_cv_prog_cxx_g=no -fi -rm -f conftest* + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 +ac_cv_prog_cxx_g=no fi - -echo "$ac_t""$ac_cv_prog_cxx_g" 1>&6 +rm -f conftest.$ac_objext conftest.$ac_ext +fi +echo "$as_me:$LINENO: result: $ac_cv_prog_cxx_g" >&5 +echo "${ECHO_T}$ac_cv_prog_cxx_g" >&6 if test "$ac_test_CXXFLAGS" = set; then - CXXFLAGS="$ac_save_CXXFLAGS" + CXXFLAGS=$ac_save_CXXFLAGS elif test $ac_cv_prog_cxx_g = yes; then if test "$GXX" = yes; then CXXFLAGS="-g -O2" @@ -1438,215 +2465,535 @@ else CXXFLAGS= fi fi +for ac_declaration in \ + ''\ + '#include ' \ + 'extern "C" void std::exit (int) throw (); using std::exit;' \ + 'extern "C" void std::exit (int); using std::exit;' \ + 'extern "C" void exit (int) throw ();' \ + 'extern "C" void exit (int);' \ + 'void exit (int);' +do + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ +#include +$ac_declaration +int +main () +{ +exit (42); + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + : +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 -# Extract the first word of "gcc", so it can be a program name with args. -set dummy gcc; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1446: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_CC'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +continue +fi +rm -f conftest.$ac_objext conftest.$ac_ext + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ +$ac_declaration +int +main () +{ +exit (42); + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + break +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +fi +rm -f conftest.$ac_objext conftest.$ac_ext +done +rm -f conftest* +if test -n "$ac_declaration"; then + echo '#ifdef __cplusplus' >>confdefs.h + echo $ac_declaration >>confdefs.h + echo '#endif' >>confdefs.h +fi + +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu + +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu +if test -n "$ac_tool_prefix"; then + # Extract the first word of "${ac_tool_prefix}gcc", so it can be a program name with args. +set dummy ${ac_tool_prefix}gcc; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_CC+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else if test -n "$CC"; then ac_cv_prog_CC="$CC" # Let the user override the test. else - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_prog_CC="gcc" - break - fi - done - IFS="$ac_save_ifs" +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_CC="${ac_tool_prefix}gcc" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + fi fi -CC="$ac_cv_prog_CC" +CC=$ac_cv_prog_CC if test -n "$CC"; then - echo "$ac_t""$CC" 1>&6 + echo "$as_me:$LINENO: result: $CC" >&5 +echo "${ECHO_T}$CC" >&6 else - echo "$ac_t""no" 1>&6 + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 +fi + +fi +if test -z "$ac_cv_prog_CC"; then + ac_ct_CC=$CC + # Extract the first word of "gcc", so it can be a program name with args. +set dummy gcc; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_ac_ct_CC+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + if test -n "$ac_ct_CC"; then + ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_CC="gcc" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + +fi +fi +ac_ct_CC=$ac_cv_prog_ac_ct_CC +if test -n "$ac_ct_CC"; then + echo "$as_me:$LINENO: result: $ac_ct_CC" >&5 +echo "${ECHO_T}$ac_ct_CC" >&6 +else + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 +fi + + CC=$ac_ct_CC +else + CC="$ac_cv_prog_CC" fi if test -z "$CC"; then - # Extract the first word of "cc", so it can be a program name with args. -set dummy cc; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1476: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_CC'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 + if test -n "$ac_tool_prefix"; then + # Extract the first word of "${ac_tool_prefix}cc", so it can be a program name with args. +set dummy ${ac_tool_prefix}cc; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_CC+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + if test -n "$CC"; then + ac_cv_prog_CC="$CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_CC="${ac_tool_prefix}cc" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + +fi +fi +CC=$ac_cv_prog_CC +if test -n "$CC"; then + echo "$as_me:$LINENO: result: $CC" >&5 +echo "${ECHO_T}$CC" >&6 +else + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 +fi + +fi +if test -z "$ac_cv_prog_CC"; then + ac_ct_CC=$CC + # Extract the first word of "cc", so it can be a program name with args. +set dummy cc; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_ac_ct_CC+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + if test -n "$ac_ct_CC"; then + ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_CC="cc" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + +fi +fi +ac_ct_CC=$ac_cv_prog_ac_ct_CC +if test -n "$ac_ct_CC"; then + echo "$as_me:$LINENO: result: $ac_ct_CC" >&5 +echo "${ECHO_T}$ac_ct_CC" >&6 +else + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 +fi + + CC=$ac_ct_CC +else + CC="$ac_cv_prog_CC" +fi + +fi +if test -z "$CC"; then + # Extract the first word of "cc", so it can be a program name with args. +set dummy cc; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_CC+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else if test -n "$CC"; then ac_cv_prog_CC="$CC" # Let the user override the test. else - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" ac_prog_rejected=no - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - if test "$ac_dir/$ac_word" = "/usr/ucb/cc"; then - ac_prog_rejected=yes - continue - fi - ac_cv_prog_CC="cc" - break - fi - done - IFS="$ac_save_ifs" +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + if test "$as_dir/$ac_word$ac_exec_ext" = "/usr/ucb/cc"; then + ac_prog_rejected=yes + continue + fi + ac_cv_prog_CC="cc" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + if test $ac_prog_rejected = yes; then # We found a bogon in the path, so make sure we never use it. set dummy $ac_cv_prog_CC shift - if test $# -gt 0; then + if test $# != 0; then # We chose a different compiler from the bogus one. # However, it has the same basename, so the bogon will be chosen # first if we set CC to just the basename; use the full file name. shift - set dummy "$ac_dir/$ac_word" "$@" - shift - ac_cv_prog_CC="$@" + ac_cv_prog_CC="$as_dir/$ac_word${1+' '}$@" fi fi fi fi -CC="$ac_cv_prog_CC" +CC=$ac_cv_prog_CC if test -n "$CC"; then - echo "$ac_t""$CC" 1>&6 + echo "$as_me:$LINENO: result: $CC" >&5 +echo "${ECHO_T}$CC" >&6 else - echo "$ac_t""no" 1>&6 + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 fi - if test -z "$CC"; then - case "`uname -s`" in - *win32* | *WIN32*) - # Extract the first word of "cl", so it can be a program name with args. -set dummy cl; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1527: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_CC'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +fi +if test -z "$CC"; then + if test -n "$ac_tool_prefix"; then + for ac_prog in cl + do + # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. +set dummy $ac_tool_prefix$ac_prog; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_CC+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else if test -n "$CC"; then ac_cv_prog_CC="$CC" # Let the user override the test. else - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_prog_CC="cl" - break - fi - done - IFS="$ac_save_ifs" +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_CC="$ac_tool_prefix$ac_prog" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done +done + fi fi -CC="$ac_cv_prog_CC" +CC=$ac_cv_prog_CC if test -n "$CC"; then - echo "$ac_t""$CC" 1>&6 + echo "$as_me:$LINENO: result: $CC" >&5 +echo "${ECHO_T}$CC" >&6 else - echo "$ac_t""no" 1>&6 + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 fi - ;; - esac + + test -n "$CC" && break + done +fi +if test -z "$CC"; then + ac_ct_CC=$CC + for ac_prog in cl +do + # Extract the first word of "$ac_prog", so it can be a program name with args. +set dummy $ac_prog; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_ac_ct_CC+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + if test -n "$ac_ct_CC"; then + ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_CC="$ac_prog" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 fi - test -z "$CC" && { echo "configure: error: no acceptable cc found in \$PATH" 1>&2; exit 1; } +done +done + fi - -echo $ac_n "checking whether the C compiler ($CC $CFLAGS $LDFLAGS) works""... $ac_c" 1>&6 -echo "configure:1559: checking whether the C compiler ($CC $CFLAGS $LDFLAGS) works" >&5 - -ac_ext=c -# CFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. -ac_cpp='$CPP $CPPFLAGS' -ac_compile='${CC-cc} -c $CFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CC-cc} -o conftest${ac_exeext} $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cc_cross - -cat > conftest.$ac_ext << EOF - -#line 1570 "configure" -#include "confdefs.h" - -main(){return(0);} -EOF -if { (eval echo configure:1575: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then - ac_cv_prog_cc_works=yes - # If we can't run a trivial program, we are probably using a cross compiler. - if (./conftest; exit) 2>/dev/null; then - ac_cv_prog_cc_cross=no - else - ac_cv_prog_cc_cross=yes - fi +fi +ac_ct_CC=$ac_cv_prog_ac_ct_CC +if test -n "$ac_ct_CC"; then + echo "$as_me:$LINENO: result: $ac_ct_CC" >&5 +echo "${ECHO_T}$ac_ct_CC" >&6 else - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - ac_cv_prog_cc_works=no + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 fi -rm -fr conftest* -ac_ext=c -# CFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. -ac_cpp='$CPP $CPPFLAGS' -ac_compile='${CC-cc} -c $CFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CC-cc} -o conftest${ac_exeext} $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cc_cross -echo "$ac_t""$ac_cv_prog_cc_works" 1>&6 -if test $ac_cv_prog_cc_works = no; then - { echo "configure: error: installation or configuration problem: C compiler cannot create executables." 1>&2; exit 1; } + test -n "$ac_ct_CC" && break +done + + CC=$ac_ct_CC fi -echo $ac_n "checking whether the C compiler ($CC $CFLAGS $LDFLAGS) is a cross-compiler""... $ac_c" 1>&6 -echo "configure:1601: checking whether the C compiler ($CC $CFLAGS $LDFLAGS) is a cross-compiler" >&5 -echo "$ac_t""$ac_cv_prog_cc_cross" 1>&6 -cross_compiling=$ac_cv_prog_cc_cross -echo $ac_n "checking whether we are using GNU C""... $ac_c" 1>&6 -echo "configure:1606: checking whether we are using GNU C" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_gcc'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +fi + + +test -z "$CC" && { { echo "$as_me:$LINENO: error: no acceptable C compiler found in \$PATH +See \`config.log' for more details." >&5 +echo "$as_me: error: no acceptable C compiler found in \$PATH +See \`config.log' for more details." >&2;} + { (exit 1); exit 1; }; } + +# Provide some information about the compiler. +echo "$as_me:$LINENO:" \ + "checking for C compiler version" >&5 +ac_compiler=`set X $ac_compile; echo $2` +{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version &5\"") >&5 + (eval $ac_compiler --version &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } +{ (eval echo "$as_me:$LINENO: \"$ac_compiler -v &5\"") >&5 + (eval $ac_compiler -v &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } +{ (eval echo "$as_me:$LINENO: \"$ac_compiler -V &5\"") >&5 + (eval $ac_compiler -V &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } + +echo "$as_me:$LINENO: checking whether we are using the GNU C compiler" >&5 +echo $ECHO_N "checking whether we are using the GNU C compiler... $ECHO_C" >&6 +if test "${ac_cv_c_compiler_gnu+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - cat > conftest.c <conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ + +int +main () +{ +#ifndef __GNUC__ + choke me #endif -EOF -if { ac_try='${CC-cc} -E conftest.c'; { (eval echo configure:1615: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; } | egrep yes >/dev/null 2>&1; then - ac_cv_prog_gcc=yes -else - ac_cv_prog_gcc=no -fi -fi -echo "$ac_t""$ac_cv_prog_gcc" 1>&6 - -if test $ac_cv_prog_gcc = yes; then - GCC=yes + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + ac_compiler_gnu=yes else - GCC= + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +ac_compiler_gnu=no fi +rm -f conftest.$ac_objext conftest.$ac_ext +ac_cv_c_compiler_gnu=$ac_compiler_gnu -ac_test_CFLAGS="${CFLAGS+set}" -ac_save_CFLAGS="$CFLAGS" -CFLAGS= -echo $ac_n "checking whether ${CC-cc} accepts -g""... $ac_c" 1>&6 -echo "configure:1634: checking whether ${CC-cc} accepts -g" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_cc_g'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +fi +echo "$as_me:$LINENO: result: $ac_cv_c_compiler_gnu" >&5 +echo "${ECHO_T}$ac_cv_c_compiler_gnu" >&6 +GCC=`test $ac_compiler_gnu = yes && echo yes` +ac_test_CFLAGS=${CFLAGS+set} +ac_save_CFLAGS=$CFLAGS +CFLAGS="-g" +echo "$as_me:$LINENO: checking whether $CC accepts -g" >&5 +echo $ECHO_N "checking whether $CC accepts -g... $ECHO_C" >&6 +if test "${ac_cv_prog_cc_g+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - echo 'void f(){}' > conftest.c -if test -z "`${CC-cc} -g -c conftest.c 2>&1`"; then + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ + +int +main () +{ + + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then ac_cv_prog_cc_g=yes else - ac_cv_prog_cc_g=no -fi -rm -f conftest* + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 +ac_cv_prog_cc_g=no fi - -echo "$ac_t""$ac_cv_prog_cc_g" 1>&6 +rm -f conftest.$ac_objext conftest.$ac_ext +fi +echo "$as_me:$LINENO: result: $ac_cv_prog_cc_g" >&5 +echo "${ECHO_T}$ac_cv_prog_cc_g" >&6 if test "$ac_test_CFLAGS" = set; then - CFLAGS="$ac_save_CFLAGS" + CFLAGS=$ac_save_CFLAGS elif test $ac_cv_prog_cc_g = yes; then if test "$GCC" = yes; then CFLAGS="-g -O2" @@ -1660,179 +3007,475 @@ else CFLAGS= fi fi +echo "$as_me:$LINENO: checking for $CC option to accept ANSI C" >&5 +echo $ECHO_N "checking for $CC option to accept ANSI C... $ECHO_C" >&6 +if test "${ac_cv_prog_cc_stdc+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + ac_cv_prog_cc_stdc=no +ac_save_CC=$CC +cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ +#include +#include +#include +#include +/* Most of the following tests are stolen from RCS 5.7's src/conf.sh. */ +struct buf { int x; }; +FILE * (*rcsopen) (struct buf *, struct stat *, int); +static char *e (p, i) + char **p; + int i; +{ + return p[i]; +} +static char *f (char * (*g) (char **, int), char **p, ...) +{ + char *s; + va_list v; + va_start (v,p); + s = g (p, va_arg (v,int)); + va_end (v); + return s; +} +int test (int i, double x); +struct s1 {int (*f) (int a);}; +struct s2 {int (*f) (double a);}; +int pairnames (int, char **, FILE *(*)(struct buf *, struct stat *, int), int, int); +int argc; +char **argv; +int +main () +{ +return f (e, argv, 0) != argv[0] || f (e, argv, 1) != argv[1]; + ; + return 0; +} +_ACEOF +# Don't try gcc -ansi; that turns off useful extensions and +# breaks some systems' header files. +# AIX -qlanglvl=ansi +# Ultrix and OSF/1 -std1 +# HP-UX 10.20 and later -Ae +# HP-UX older versions -Aa -D_HPUX_SOURCE +# SVR4 -Xc -D__EXTENSIONS__ +for ac_arg in "" -qlanglvl=ansi -std1 -Ae "-Aa -D_HPUX_SOURCE" "-Xc -D__EXTENSIONS__" +do + CC="$ac_save_CC $ac_arg" + rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + ac_cv_prog_cc_stdc=$ac_arg +break +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +fi +rm -f conftest.$ac_objext +done +rm -f conftest.$ac_ext conftest.$ac_objext +CC=$ac_save_CC + +fi + +case "x$ac_cv_prog_cc_stdc" in + x|xno) + echo "$as_me:$LINENO: result: none needed" >&5 +echo "${ECHO_T}none needed" >&6 ;; + *) + echo "$as_me:$LINENO: result: $ac_cv_prog_cc_stdc" >&5 +echo "${ECHO_T}$ac_cv_prog_cc_stdc" >&6 + CC="$CC $ac_cv_prog_cc_stdc" ;; +esac + +# Some people use a C++ compiler to compile C. Since we use `exit', +# in C++ we need to declare it. In case someone uses the same compiler +# for both compiling C and C++ we need to have the C++ compiler decide +# the declaration of exit, since it's the most demanding environment. +cat >conftest.$ac_ext <<_ACEOF +#ifndef __cplusplus + choke me +#endif +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + for ac_declaration in \ + ''\ + '#include ' \ + 'extern "C" void std::exit (int) throw (); using std::exit;' \ + 'extern "C" void std::exit (int); using std::exit;' \ + 'extern "C" void exit (int) throw ();' \ + 'extern "C" void exit (int);' \ + 'void exit (int);' +do + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ +#include +$ac_declaration +int +main () +{ +exit (42); + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + : +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +continue +fi +rm -f conftest.$ac_objext conftest.$ac_ext + cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ +$ac_declaration +int +main () +{ +exit (42); + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + break +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +fi +rm -f conftest.$ac_objext conftest.$ac_ext +done +rm -f conftest* +if test -n "$ac_declaration"; then + echo '#ifdef __cplusplus' >>confdefs.h + echo $ac_declaration >>confdefs.h + echo '#endif' >>confdefs.h +fi + +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +fi +rm -f conftest.$ac_objext conftest.$ac_ext +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu -echo $ac_n "checking for ability to precompile headers""... $ac_c" 1>&6 -echo "configure:1667: checking for ability to precompile headers" >&5 +echo "$as_me:$LINENO: checking for ability to precompile headers" >&5 +echo $ECHO_N "checking for ability to precompile headers... $ECHO_C" >&6 if test -n "$GCC"; then msg=`rm -f *h.gch; $CXX testpch.h &> /dev/null` - if test -f testpch.h.gch; then + if test -f testpch.h.gch; then precompile_headers=yes fi fi -echo "$ac_t""${precompile_headers}" 1>&6 +echo "$as_me:$LINENO: result: ${precompile_headers}" >&5 +echo "${ECHO_T}${precompile_headers}" >&6 has_sstream=no -echo $ac_n "checking for sstream""... $ac_c" 1>&6 -echo "configure:1679: checking for sstream" >&5 +echo "$as_me:$LINENO: checking for sstream" >&5 +echo $ECHO_N "checking for sstream... $ECHO_C" >&6 cat >> testsstream.cpp << EOF #include main() {} EOF msg=`${CXX} -c testsstream.cpp &> /dev/null` - if test -f testsstream.o; then + if test -f testsstream.o; then has_sstream=yes rm testsstream.o - cat >> confdefs.h <<\EOF + cat >>confdefs.h <<\_ACEOF #define HAS_SSTREAM 1 -EOF +_ACEOF fi rm -f testsstream.cpp -echo "$ac_t""${has_sstream}" 1>&6 +echo "$as_me:$LINENO: result: ${has_sstream}" >&5 +echo "${ECHO_T}${has_sstream}" >&6 #--------------------------------- # Fortran #--------------------------------- -if test -z "$F77"; then - for ac_prog in g77 f77 f2c -do -# Extract the first word of "$ac_prog", so it can be a program name with args. -set dummy $ac_prog; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1707: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_F77'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +ac_ext=f +ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' +ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f77_compiler_gnu +if test -n "$ac_tool_prefix"; then + for ac_prog in g77 f77 xlf frt pgf77 fl32 af77 fort77 f90 xlf90 pgf90 epcf90 f95 fort xlf95 lf95 g95 + do + # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. +set dummy $ac_tool_prefix$ac_prog; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_F77+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else if test -n "$F77"; then ac_cv_prog_F77="$F77" # Let the user override the test. else - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_prog_F77="$ac_prog" - break - fi - done - IFS="$ac_save_ifs" -fi -fi -F77="$ac_cv_prog_F77" -if test -n "$F77"; then - echo "$ac_t""$F77" 1>&6 -else - echo "$ac_t""no" 1>&6 -fi - -test -n "$F77" && break +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_F77="$ac_tool_prefix$ac_prog" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done done - test -z "$F77" && { echo "configure: error: no acceptable Fortran 77 compiler found in \$PATH" 1>&2; exit 1; } +fi +fi +F77=$ac_cv_prog_F77 +if test -n "$F77"; then + echo "$as_me:$LINENO: result: $F77" >&5 +echo "${ECHO_T}$F77" >&6 +else + echo "$as_me:$LINENO: result: no" >&5 +echo "${ECHO_T}no" >&6 fi -echo $ac_n "checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) works""... $ac_c" 1>&6 -echo "configure:1740: checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) works" >&5 - -ac_ext=f -ac_compile='${F77-f77} -c $FFLAGS conftest.$ac_ext 1>&5' -ac_link='${F77-f77} -o conftest${ac_exeext} $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_f77_cross - -cat > conftest.$ac_ext << EOF - - program conftest - end - -EOF -if { (eval echo configure:1753: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then - ac_cv_prog_f77_works=yes - # If we can't run a trivial program, we are probably using a cross compiler. - if (./conftest; exit) 2>/dev/null; then - ac_cv_prog_f77_cross=no - else - ac_cv_prog_f77_cross=yes + test -n "$F77" && break + done +fi +if test -z "$F77"; then + ac_ct_F77=$F77 + for ac_prog in g77 f77 xlf frt pgf77 fl32 af77 fort77 f90 xlf90 pgf90 epcf90 f95 fort xlf95 lf95 g95 +do + # Extract the first word of "$ac_prog", so it can be a program name with args. +set dummy $ac_prog; ac_word=$2 +echo "$as_me:$LINENO: checking for $ac_word" >&5 +echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6 +if test "${ac_cv_prog_ac_ct_F77+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + if test -n "$ac_ct_F77"; then + ac_cv_prog_ac_ct_F77="$ac_ct_F77" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_F77="$ac_prog" + echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 fi -else - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - ac_cv_prog_f77_works=no -fi -rm -fr conftest* -ac_ext=c -# CFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. -ac_cpp='$CPP $CPPFLAGS' -ac_compile='${CC-cc} -c $CFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CC-cc} -o conftest${ac_exeext} $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cc_cross +done +done -echo "$ac_t""$ac_cv_prog_f77_works" 1>&6 -if test $ac_cv_prog_f77_works = no; then - { echo "configure: error: installation or configuration problem: Fortran 77 compiler cannot create executables." 1>&2; exit 1; } fi -echo $ac_n "checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) is a cross-compiler""... $ac_c" 1>&6 -echo "configure:1779: checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) is a cross-compiler" >&5 -echo "$ac_t""$ac_cv_prog_f77_cross" 1>&6 -cross_compiling=$ac_cv_prog_f77_cross - -echo $ac_n "checking whether we are using GNU Fortran 77""... $ac_c" 1>&6 -echo "configure:1784: checking whether we are using GNU Fortran 77" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_g77'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +fi +ac_ct_F77=$ac_cv_prog_ac_ct_F77 +if test -n "$ac_ct_F77"; then + echo "$as_me:$LINENO: result: $ac_ct_F77" >&5 +echo "${ECHO_T}$ac_ct_F77" >&6 else - cat > conftest.fpp <&5 +echo "${ECHO_T}no" >&6 +fi + + test -n "$ac_ct_F77" && break +done + + F77=$ac_ct_F77 +fi + + +# Provide some information about the compiler. +echo "$as_me:3358:" \ + "checking for Fortran 77 compiler version" >&5 +ac_compiler=`set X $ac_compile; echo $2` +{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version &5\"") >&5 + (eval $ac_compiler --version &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } +{ (eval echo "$as_me:$LINENO: \"$ac_compiler -v &5\"") >&5 + (eval $ac_compiler -v &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } +{ (eval echo "$as_me:$LINENO: \"$ac_compiler -V &5\"") >&5 + (eval $ac_compiler -V &5) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } + +# If we don't use `.F' as extension, the preprocessor is not run on the +# input file. +ac_save_ext=$ac_ext +ac_ext=F +echo "$as_me:$LINENO: checking whether we are using the GNU Fortran 77 compiler" >&5 +echo $ECHO_N "checking whether we are using the GNU Fortran 77 compiler... $ECHO_C" >&6 +if test "${ac_cv_f77_compiler_gnu+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + cat >conftest.$ac_ext <<_ACEOF + program main +#ifndef __GNUC__ + choke me #endif -EOF -if { ac_try='$F77 -E conftest.fpp'; { (eval echo configure:1793: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; } | egrep yes >/dev/null 2>&1; then - ac_cv_prog_g77=yes -else - ac_cv_prog_g77=no -fi -fi -echo "$ac_t""$ac_cv_prog_g77" 1>&6 - -if test $ac_cv_prog_g77 = yes; then - G77=yes - ac_test_FFLAGS="${FFLAGS+set}" - ac_save_FFLAGS="$FFLAGS" - FFLAGS= - echo $ac_n "checking whether $F77 accepts -g""... $ac_c" 1>&6 -echo "configure:1808: checking whether $F77 accepts -g" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_f77_g'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 + end +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + ac_compiler_gnu=yes else - cat > conftest.f << EOF - program conftest - end -EOF -if test -z "`$F77 -g -c conftest.f 2>&1`"; then + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +ac_compiler_gnu=no +fi +rm -f conftest.$ac_objext conftest.$ac_ext +ac_cv_f77_compiler_gnu=$ac_compiler_gnu + +fi +echo "$as_me:$LINENO: result: $ac_cv_f77_compiler_gnu" >&5 +echo "${ECHO_T}$ac_cv_f77_compiler_gnu" >&6 +ac_ext=$ac_save_ext +G77=`test $ac_compiler_gnu = yes && echo yes` +ac_test_FFLAGS=${FFLAGS+set} +ac_save_FFLAGS=$FFLAGS +FFLAGS= +echo "$as_me:$LINENO: checking whether $F77 accepts -g" >&5 +echo $ECHO_N "checking whether $F77 accepts -g... $ECHO_C" >&6 +if test "${ac_cv_prog_f77_g+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + FFLAGS=-g +cat >conftest.$ac_ext <<_ACEOF + program main + + end +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then ac_cv_prog_f77_g=yes else - ac_cv_prog_f77_g=no + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +ac_cv_prog_f77_g=no fi -rm -f conftest* +rm -f conftest.$ac_objext conftest.$ac_ext fi - -echo "$ac_t""$ac_cv_prog_f77_g" 1>&6 - if test "$ac_test_FFLAGS" = set; then - FFLAGS="$ac_save_FFLAGS" - elif test $ac_cv_prog_f77_g = yes; then +echo "$as_me:$LINENO: result: $ac_cv_prog_f77_g" >&5 +echo "${ECHO_T}$ac_cv_prog_f77_g" >&6 +if test "$ac_test_FFLAGS" = set; then + FFLAGS=$ac_save_FFLAGS +elif test $ac_cv_prog_f77_g = yes; then + if test "$G77" = yes; then FFLAGS="-g -O2" else - FFLAGS="-O2" + FFLAGS="-g" fi else - G77= - test "${FFLAGS+set}" = set || FFLAGS="-g" + if test "$G77" = yes; then + FFLAGS="-O2" + else + FFLAGS= + fi fi +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu # if G77 is defined, then add a flag to turn off adding a second underscore @@ -1841,284 +3484,308 @@ if test -n "$G77"; then FFLAGS=$FFLAGS' -fno-second-underscore' fi -echo $ac_n "checking for Fortran 77 libraries""... $ac_c" 1>&6 -echo "configure:1846: checking for Fortran 77 libraries" >&5 - -if eval "test \"`echo '$''{'ac_cv_flibs'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 +ac_ext=f +ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' +ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f77_compiler_gnu +echo "$as_me:$LINENO: checking how to get verbose linking output from $F77" >&5 +echo $ECHO_N "checking how to get verbose linking output from $F77... $ECHO_C" >&6 +if test "${ac_cv_prog_f77_v+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 else - echo " END" > conftest.f -foutput=`${F77} -v -o conftest conftest.f 2>&1` -xlf_p=`echo $foutput | grep xlfentry` -if test -n "$xlf_p"; then - foutput=`echo $foutput | sed 's/,/ /g'` + +cat >conftest.$ac_ext <<_ACEOF + program main + + end +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest.$ac_objext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + ac_cv_prog_f77_v= +# Try some options frequently used verbose output +for ac_verb in -v -verbose --verbose -V -\#\#\#; do + ac_ext=f +ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' +ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f77_compiler_gnu + +cat >conftest.$ac_ext <<_ACEOF + program main + + end +_ACEOF + +# Compile and link our simple test program by passing a flag (argument +# 1 to this macro) to the Fortran 77 compiler in order to get +# "verbose" output that we can then parse for the Fortran 77 linker +# flags. +ac_save_FFLAGS=$FFLAGS +FFLAGS="$FFLAGS $ac_verb" +(eval echo $as_me:3535: \"$ac_link\") >&5 +ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` +echo "$ac_f77_v_output" >&5 +FFLAGS=$ac_save_FFLAGS + +rm -f conftest* +ac_ext=f +ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' +ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f77_compiler_gnu + +# If we are using xlf then replace all the commas with spaces. +if echo $ac_f77_v_output | grep xlfentry >/dev/null 2>&1; then + ac_f77_v_output=`echo $ac_f77_v_output | sed 's/,/ /g'` fi -ld_run_path=`echo $foutput | \ - sed -n -e 's/^.*LD_RUN_PATH *= *\([^ ]*\).*/\1/p'` -case "$ld_run_path" in - /*) - if test "$ac_cv_prog_gcc" = yes; then - ld_run_path="-Xlinker -R -Xlinker $ld_run_path" - else - ld_run_path="-R $ld_run_path" - fi - ;; - *) - ld_run_path= - ;; -esac -flibs= -lflags= -want_arg= -for arg in $foutput; do - old_want_arg=$want_arg - want_arg= - if test -n "$old_want_arg"; then - case "$arg" in - -*) - old_want_arg= - ;; - esac - fi - case "$old_want_arg" in - '') - case $arg in - /*.a) - exists=false - for f in $lflags; do - if test x$arg = x$f; then - exists=true - fi - done - if $exists; then - arg= - else - lflags="$lflags $arg" - fi - ;; - -bI:*) - exists=false - for f in $lflags; do - if test x$arg = x$f; then - exists=true - fi - done - if $exists; then - arg= - else - if test "$ac_cv_prog_gcc" = yes; then - lflags="$lflags -Xlinker $arg" - else - lflags="$lflags $arg" - fi - fi - ;; - -lang* | -lcrt0.o | -lc | -lgcc) - arg= - ;; - -[lLR]) - want_arg=$arg - arg= - ;; - -[lLR]*) - exists=false - for f in $lflags; do - if test x$arg = x$f; then - exists=true - fi - done - if $exists; then - arg= - else - case "$arg" in - -lkernel32) - case "$canonical_host_type" in - *-*-cygwin*) - arg= - ;; - *) - lflags="$lflags $arg" - ;; - esac - ;; - -lm) - ;; - *) - lflags="$lflags $arg" - ;; - esac - fi - ;; - -u) - want_arg=$arg - arg= - ;; - -Y) - want_arg=$arg - arg= - ;; - *) - arg= - ;; - esac - ;; - -[lLR]) - arg="$old_want_arg $arg" - ;; - -u) - arg="-u $arg" - ;; - -Y) - arg=`echo $arg | sed -e 's%^P,%%'` - SAVE_IFS=$IFS - IFS=: - list= - for elt in $arg; do - list="$list -L$elt" - done - IFS=$SAVE_IFS - arg="$list" - ;; - esac - if test -n "$arg"; then - flibs="$flibs $arg" - fi + +# On HP/UX there is a line like: "LPATH is: /foo:/bar:/baz" where +# /foo, /bar, and /baz are search directories for the Fortran linker. +# Here, we change these into -L/foo -L/bar -L/baz (and put it first): +ac_f77_v_output="`echo $ac_f77_v_output | + grep 'LPATH is:' | + sed 's,.*LPATH is\(: *[^ ]*\).*,\1,;s,: */, -L/,g'` $ac_f77_v_output" + +# If we are using Cray Fortran then delete quotes. +# Use "\"" instead of '"' for font-lock-mode. +# FIXME: a more general fix for quoted arguments with spaces? +if echo $ac_f77_v_output | grep cft90 >/dev/null 2>&1; then + ac_f77_v_output=`echo $ac_f77_v_output | sed "s/\"//g"` +fi + # look for -l* and *.a constructs in the output + for ac_arg in $ac_f77_v_output; do + case $ac_arg in + [\\/]*.a | ?:[\\/]*.a | -[lLRu]*) + ac_cv_prog_f77_v=$ac_verb + break 2 ;; + esac + done done -if test -n "$ld_run_path"; then - flibs_result="$ld_run_path $flibs" -else - flibs_result="$flibs" +if test -z "$ac_cv_prog_f77_v"; then + { echo "$as_me:$LINENO: WARNING: cannot determine how to obtain linking information from $F77" >&5 +echo "$as_me: WARNING: cannot determine how to obtain linking information from $F77" >&2;} fi -ac_cv_flibs="$flibs_result" +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +{ echo "$as_me:$LINENO: WARNING: compilation failed" >&5 +echo "$as_me: WARNING: compilation failed" >&2;} +fi +rm -f conftest.$ac_objext conftest.$ac_ext + +fi +echo "$as_me:$LINENO: result: $ac_cv_prog_f77_v" >&5 +echo "${ECHO_T}$ac_cv_prog_f77_v" >&6 +echo "$as_me:$LINENO: checking for Fortran 77 libraries" >&5 +echo $ECHO_N "checking for Fortran 77 libraries... $ECHO_C" >&6 +if test "${ac_cv_flibs+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + if test "x$FLIBS" != "x"; then + ac_cv_flibs="$FLIBS" # Let the user override the test. +else + +ac_ext=f +ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' +ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f77_compiler_gnu + +cat >conftest.$ac_ext <<_ACEOF + program main + + end +_ACEOF + +# Compile and link our simple test program by passing a flag (argument +# 1 to this macro) to the Fortran 77 compiler in order to get +# "verbose" output that we can then parse for the Fortran 77 linker +# flags. +ac_save_FFLAGS=$FFLAGS +FFLAGS="$FFLAGS $ac_cv_prog_f77_v" +(eval echo $as_me:3615: \"$ac_link\") >&5 +ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` +echo "$ac_f77_v_output" >&5 +FFLAGS=$ac_save_FFLAGS + +rm -f conftest* +ac_ext=f +ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' +ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f77_compiler_gnu + +# If we are using xlf then replace all the commas with spaces. +if echo $ac_f77_v_output | grep xlfentry >/dev/null 2>&1; then + ac_f77_v_output=`echo $ac_f77_v_output | sed 's/,/ /g'` fi +# On HP/UX there is a line like: "LPATH is: /foo:/bar:/baz" where +# /foo, /bar, and /baz are search directories for the Fortran linker. +# Here, we change these into -L/foo -L/bar -L/baz (and put it first): +ac_f77_v_output="`echo $ac_f77_v_output | + grep 'LPATH is:' | + sed 's,.*LPATH is\(: *[^ ]*\).*,\1,;s,: */, -L/,g'` $ac_f77_v_output" + +# If we are using Cray Fortran then delete quotes. +# Use "\"" instead of '"' for font-lock-mode. +# FIXME: a more general fix for quoted arguments with spaces? +if echo $ac_f77_v_output | grep cft90 >/dev/null 2>&1; then + ac_f77_v_output=`echo $ac_f77_v_output | sed "s/\"//g"` +fi + +ac_cv_flibs= + +# Save positional arguments (if any) +ac_save_positional="$@" + +set X $ac_f77_v_output +while test $# != 1; do + shift + ac_arg=$1 + case $ac_arg in + [\\/]*.a | ?:[\\/]*.a) + ac_exists=false + for ac_i in $ac_cv_flibs; do + if test x"$ac_arg" = x"$ac_i"; then + ac_exists=true + break + fi + done + + if test x"$ac_exists" = xtrue; then + : +else + ac_cv_flibs="$ac_cv_flibs $ac_arg" +fi + + ;; + -bI:*) + ac_exists=false + for ac_i in $ac_cv_flibs; do + if test x"$ac_arg" = x"$ac_i"; then + ac_exists=true + break + fi + done + + if test x"$ac_exists" = xtrue; then + : +else + if test "$ac_compiler_gnu" = yes; then + for ac_link_opt in $ac_arg; do + ac_cv_flibs="$ac_cv_flibs -Xlinker $ac_link_opt" + done +else + ac_cv_flibs="$ac_cv_flibs $ac_arg" +fi +fi + + ;; + # Ignore these flags. + -lang* | -lcrt0.o | -lc | -lgcc | -libmil | -LANG:=*) + ;; + -lkernel32) + test x"$CYGWIN" != xyes && ac_cv_flibs="$ac_cv_flibs $ac_arg" + ;; + -[LRuY]) + # These flags, when seen by themselves, take an argument. + # We remove the space between option and argument and re-iterate + # unless we find an empty arg or a new option (starting with -) + case $2 in + "" | -*);; + *) + ac_arg="$ac_arg$2" + shift; shift + set X $ac_arg "$@" + ;; + esac + ;; + -YP,*) + for ac_j in `echo $ac_arg | sed -e 's/-YP,/-L/;s/:/ -L/g'`; do + ac_exists=false + for ac_i in $ac_cv_flibs; do + if test x"$ac_j" = x"$ac_i"; then + ac_exists=true + break + fi + done + + if test x"$ac_exists" = xtrue; then + : +else + ac_arg="$ac_arg $ac_j" + ac_cv_flibs="$ac_cv_flibs $ac_j" +fi + + done + ;; + -[lLR]*) + ac_exists=false + for ac_i in $ac_cv_flibs; do + if test x"$ac_arg" = x"$ac_i"; then + ac_exists=true + break + fi + done + + if test x"$ac_exists" = xtrue; then + : +else + ac_cv_flibs="$ac_cv_flibs $ac_arg" +fi + + ;; + # Ignore everything else. + esac +done +# restore positional arguments +set X $ac_save_positional; shift + +# We only consider "LD_RUN_PATH" on Solaris systems. If this is seen, +# then we insist that the "run path" must be an absolute path (i.e. it +# must begin with a "/"). +case `(uname -sr) 2>/dev/null` in + "SunOS 5"*) + ac_ld_run_path=`echo $ac_f77_v_output | + sed -n 's,^.*LD_RUN_PATH *= *\(/[^ ]*\).*$,-R\1,p'` + test "x$ac_ld_run_path" != x && + if test "$ac_compiler_gnu" = yes; then + for ac_link_opt in $ac_ld_run_path; do + ac_cv_flibs="$ac_cv_flibs -Xlinker $ac_link_opt" + done +else + ac_cv_flibs="$ac_cv_flibs $ac_ld_run_path" +fi + ;; +esac +fi # test "x$FLIBS" = "x" + +fi +echo "$as_me:$LINENO: result: $ac_cv_flibs" >&5 +echo "${ECHO_T}$ac_cv_flibs" >&6 FLIBS="$ac_cv_flibs" -echo "$ac_t""$FLIBS" 1>&6 + +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu case $ac_sys_system in Darwin*) FLIBS='-lg2c -lgcc'; SHARED_CTLIB=0;; esac -echo $ac_n "checking for object suffix""... $ac_c" 1>&6 -echo "configure:2006: checking for object suffix" >&5 -if eval "test \"`echo '$''{'ac_cv_objext'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 -else - rm -f conftest* -echo 'int i = 1;' > conftest.$ac_ext -if { (eval echo configure:2012: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then - for ac_file in conftest.*; do - case $ac_file in - *.c) ;; - *) ac_cv_objext=`echo $ac_file | sed -e s/conftest.//` ;; - esac - done -else - { echo "configure: error: installation or configuration problem; compiler does not work" 1>&2; exit 1; } -fi -rm -f conftest* -fi -echo "$ac_t""$ac_cv_objext" 1>&6 -OBJEXT=$ac_cv_objext -ac_objext=$ac_cv_objext - -echo $ac_n "checking for Cygwin environment""... $ac_c" 1>&6 -echo "configure:2030: checking for Cygwin environment" >&5 -if eval "test \"`echo '$''{'ac_cv_cygwin'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 -else - cat > conftest.$ac_ext <&5; (eval $ac_compile) 2>&5; }; then - rm -rf conftest* - ac_cv_cygwin=yes -else - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - rm -rf conftest* - ac_cv_cygwin=no -fi -rm -f conftest* -rm -f conftest* -fi - -echo "$ac_t""$ac_cv_cygwin" 1>&6 -CYGWIN= -test "$ac_cv_cygwin" = yes && CYGWIN=yes -echo $ac_n "checking for mingw32 environment""... $ac_c" 1>&6 -echo "configure:2063: checking for mingw32 environment" >&5 -if eval "test \"`echo '$''{'ac_cv_mingw32'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 -else - cat > conftest.$ac_ext <&5; (eval $ac_compile) 2>&5; }; then - rm -rf conftest* - ac_cv_mingw32=yes -else - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - rm -rf conftest* - ac_cv_mingw32=no -fi -rm -f conftest* -rm -f conftest* -fi - -echo "$ac_t""$ac_cv_mingw32" 1>&6 -MINGW32= -test "$ac_cv_mingw32" = yes && MINGW32=yes - - -echo $ac_n "checking for executable suffix""... $ac_c" 1>&6 -echo "configure:2094: checking for executable suffix" >&5 -if eval "test \"`echo '$''{'ac_cv_exeext'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 -else - if test "$CYGWIN" = yes || test "$MINGW32" = yes; then - ac_cv_exeext=.exe -else - rm -f conftest* - echo 'int main () { return 0; }' > conftest.$ac_ext - ac_cv_exeext= - if { (eval echo configure:2104: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; }; then - for file in conftest.*; do - case $file in - *.c | *.o | *.obj) ;; - *) ac_cv_exeext=`echo $file | sed -e s/conftest//` ;; - esac - done - else - { echo "configure: error: installation or configuration problem: compiler cannot create executables." 1>&2; exit 1; } - fi - rm -f conftest* - test x"${ac_cv_exeext}" = x && ac_cv_exeext=no -fi -fi - -EXEEXT="" -test x"${ac_cv_exeext}" != xno && EXEEXT=${ac_cv_exeext} -echo "$ac_t""${ac_cv_exeext}" 1>&6 -ac_exeext=$EXEEXT fi @@ -2137,12 +3804,11 @@ if test -z "$F77_EXT"; then F77_EXT=f; fi -ac_ext=C -# CXXFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. +ac_ext=cc ac_cpp='$CXXCPP $CPPFLAGS' -ac_compile='${CXX-g++} -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CXX-g++} -o conftest${ac_exeext} $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cxx_cross +ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_cxx_compiler_gnu if test -z "$CXX_EXT"; then CXX_EXT=cpp; fi @@ -2162,23 +3828,23 @@ math_libs='-lrecipes -lcvode -lctmath' if test "$LAPACK_FTN_TRAILING_UNDERSCORE" = "y" -then cat >> confdefs.h <<\EOF +then cat >>confdefs.h <<\_ACEOF #define LAPACK_FTN_TRAILING_UNDERSCORE 1 -EOF +_ACEOF fi if test "$LAPACK_FTN_STRING_LEN_AT_END" = "y" -then cat >> confdefs.h <<\EOF +then cat >>confdefs.h <<\_ACEOF #define LAPACK_FTN_STRING_LEN_AT_END 1 -EOF +_ACEOF fi if test "$LAPACK_NAMES" = "lower" -then cat >> confdefs.h <<\EOF +then cat >>confdefs.h <<\_ACEOF #define LAPACK_NAMES_LOWERCASE 1 -EOF +_ACEOF fi @@ -2189,8 +3855,8 @@ fi # SO is the extension of shared libraries `(including the dot!) # -- usually .so, .sl on HP-UX, .dll on Cygwin -echo $ac_n "checking SO""... $ac_c" 1>&6 -echo "configure:2194: checking SO" >&5 +echo "$as_me:$LINENO: checking SO" >&5 +echo $ECHO_N "checking SO... $ECHO_C" >&6 if test -z "$SO" then case $ac_sys_system in @@ -2200,511 +3866,1182 @@ then *) SO=.so;; esac fi -echo "$ac_t""$SO" 1>&6 +echo "$as_me:$LINENO: result: $SO" >&5 +echo "${ECHO_T}$SO" >&6 -ac_ext=C -# CXXFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. +ac_ext=cc ac_cpp='$CXXCPP $CPPFLAGS' -ac_compile='${CXX-g++} -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext 1>&5' -ac_link='${CXX-g++} -o conftest${ac_exeext} $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS 1>&5' -cross_compiling=$ac_cv_prog_cxx_cross +ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_cxx_compiler_gnu -trap '' 1 2 15 + ac_config_files="$ac_config_files ../Cantera/Makefile ../Cantera/src/Makefile ../Cantera/src/zeroD/Makefile ../Cantera/src/oneD/Makefile ../Cantera/src/converters/Makefile ../Cantera/src/transport/Makefile ../Cantera/clib/src/Makefile ../Cantera/fortran/src/Makefile ../Cantera/fortran/f77demos/f77demos.mak ../Cantera/fortran/f77demos/isentropic.dsp ../Cantera/matlab/Makefile ../Cantera/matlab/setup_matlab.py ../Cantera/matlab/setup_winmatlab.py ../Cantera/python/Makefile ../Cantera/python/setup.py ../Cantera/cxx/Makefile ../Cantera/cxx/src/Makefile ../Cantera/cxx/demos/Makefile ../Cantera/user/Makefile ../Cantera/python/src/Makefile ../ext/lapack/Makefile ../ext/blas/Makefile ../ext/cvode/Makefile ../ext/math/Makefile ../ext/tpx/Makefile ../ext/Makefile ../ext/recipes/Makefile ../examples/Makefile ../examples/cxx/Makefile ../Makefile ../tools/Makefile ../tools/src/Makefile ../tools/src/sample.mak ../tools/src/finish_install.py ../tools/src/package4mac ../tools/templates/f77/demo.mak ../tools/templates/cxx/demo.mak ../tools/testtools/Makefile ../data/inputs/Makefile ../test_problems/Makefile ../test_problems/cxx_ex/Makefile ../test_problems/silane_equil/Makefile ../test_problems/surfkin/Makefile ../test_problems/diamondSurf/Makefile" -trap 'rm -fr conftest* confdefs* core core.* *.core $ac_clean_files; exit 1' 1 2 15 test "x$prefix" = xNONE && prefix=$ac_default_prefix # Let make expand exec_prefix. test "x$exec_prefix" = xNONE && exec_prefix='${prefix}' -# Any assignment to VPATH causes Sun make to only execute -# the first set of double-colon rules, so remove it if not needed. -# If there is a colon in the path, we need to keep it. +# VPATH may cause trouble with some makes, so we remove $(srcdir), +# ${srcdir} and @srcdir@ from VPATH if srcdir is ".", strip leading and +# trailing colons and then remove the whole line if VPATH becomes empty +# (actually we leave an empty line to preserve line numbers). if test "x$srcdir" = x.; then - ac_vpsub='/^[ ]*VPATH[ ]*=[^:]*$/d' + ac_vpsub='/^[ ]*VPATH[ ]*=/{ +s/:*\$(srcdir):*/:/; +s/:*\${srcdir}:*/:/; +s/:*@srcdir@:*/:/; +s/^\([^=]*=[ ]*\):*/\1/; +s/:*$//; +s/^[^=]*=[ ]*$//; +}' fi -trap 'rm -f $CONFIG_STATUS conftest*; exit 1' 1 2 15 - DEFS=-DHAVE_CONFIG_H -# Without the "./", some shells look in PATH for config.status. +ac_libobjs= +ac_ltlibobjs= +for ac_i in : $LIBOBJS; do test "x$ac_i" = x: && continue + # 1. Remove the extension, and $U if already installed. + ac_i=`echo "$ac_i" | + sed 's/\$U\././;s/\.o$//;s/\.obj$//'` + # 2. 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+ --debug | --d* | -d ) + debug=: ;; + --file | --fil | --fi | --f ) + $ac_shift + CONFIG_FILES="$CONFIG_FILES $ac_optarg" + ac_need_defaults=false;; + --header | --heade | --head | --hea ) + $ac_shift + CONFIG_HEADERS="$CONFIG_HEADERS $ac_optarg" + ac_need_defaults=false;; + -q | -quiet | --quiet | --quie | --qui | --qu | --q \ + | -silent | --silent | --silen | --sile | --sil | --si | --s) + ac_cs_silent=: ;; + + # This is an error. + -*) { { echo "$as_me:$LINENO: error: unrecognized option: $1 +Try \`$0 --help' for more information." >&5 +echo "$as_me: error: unrecognized option: $1 +Try \`$0 --help' for more information." >&2;} + { (exit 1); exit 1; }; } ;; + + *) ac_config_targets="$ac_config_targets $1" ;; + + esac + shift +done + +ac_configure_extra_args= + +if $ac_cs_silent; then + exec 6>/dev/null + ac_configure_extra_args="$ac_configure_extra_args --silent" +fi + +_ACEOF +cat >>$CONFIG_STATUS <<_ACEOF +if \$ac_cs_recheck; then + echo "running $SHELL $0 " $ac_configure_args \$ac_configure_extra_args " --no-create --no-recursion" >&6 + exec $SHELL $0 $ac_configure_args \$ac_configure_extra_args --no-create --no-recursion +fi + +_ACEOF + + + + + +cat >>$CONFIG_STATUS <<\_ACEOF +for ac_config_target in $ac_config_targets +do + case "$ac_config_target" in + # Handling of arguments. + "../Cantera/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/Makefile" ;; + "../Cantera/src/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/src/Makefile" ;; + "../Cantera/src/zeroD/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/src/zeroD/Makefile" ;; + "../Cantera/src/oneD/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/src/oneD/Makefile" ;; + "../Cantera/src/converters/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/src/converters/Makefile" ;; + "../Cantera/src/transport/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/src/transport/Makefile" ;; + "../Cantera/clib/src/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/clib/src/Makefile" ;; + "../Cantera/fortran/src/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/fortran/src/Makefile" ;; + "../Cantera/fortran/f77demos/f77demos.mak" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/fortran/f77demos/f77demos.mak" ;; + "../Cantera/fortran/f77demos/isentropic.dsp" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/fortran/f77demos/isentropic.dsp" ;; + "../Cantera/matlab/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/matlab/Makefile" ;; + "../Cantera/matlab/setup_matlab.py" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/matlab/setup_matlab.py" ;; + "../Cantera/matlab/setup_winmatlab.py" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/matlab/setup_winmatlab.py" ;; + "../Cantera/python/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/python/Makefile" ;; + "../Cantera/python/setup.py" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/python/setup.py" ;; + "../Cantera/cxx/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/cxx/Makefile" ;; + "../Cantera/cxx/src/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/cxx/src/Makefile" ;; + "../Cantera/cxx/demos/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/cxx/demos/Makefile" ;; + "../Cantera/user/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/user/Makefile" ;; + "../Cantera/python/src/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Cantera/python/src/Makefile" ;; + "../ext/lapack/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../ext/lapack/Makefile" ;; + "../ext/blas/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../ext/blas/Makefile" ;; + "../ext/cvode/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../ext/cvode/Makefile" ;; + "../ext/math/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../ext/math/Makefile" ;; + "../ext/tpx/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../ext/tpx/Makefile" ;; + "../ext/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../ext/Makefile" ;; + "../ext/recipes/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../ext/recipes/Makefile" ;; + "../examples/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../examples/Makefile" ;; + "../examples/cxx/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../examples/cxx/Makefile" ;; + "../Makefile" ) CONFIG_FILES="$CONFIG_FILES ../Makefile" ;; + "../tools/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../tools/Makefile" ;; + "../tools/src/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../tools/src/Makefile" ;; + "../tools/src/sample.mak" ) CONFIG_FILES="$CONFIG_FILES ../tools/src/sample.mak" ;; + "../tools/src/finish_install.py" ) CONFIG_FILES="$CONFIG_FILES ../tools/src/finish_install.py" ;; + "../tools/src/package4mac" ) CONFIG_FILES="$CONFIG_FILES ../tools/src/package4mac" ;; + "../tools/templates/f77/demo.mak" ) CONFIG_FILES="$CONFIG_FILES ../tools/templates/f77/demo.mak" ;; + "../tools/templates/cxx/demo.mak" ) CONFIG_FILES="$CONFIG_FILES ../tools/templates/cxx/demo.mak" ;; + "../tools/testtools/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../tools/testtools/Makefile" ;; + "../data/inputs/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../data/inputs/Makefile" ;; + "../test_problems/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../test_problems/Makefile" ;; + "../test_problems/cxx_ex/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../test_problems/cxx_ex/Makefile" ;; + "../test_problems/silane_equil/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../test_problems/silane_equil/Makefile" ;; + "../test_problems/surfkin/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../test_problems/surfkin/Makefile" ;; + "../test_problems/diamondSurf/Makefile" ) CONFIG_FILES="$CONFIG_FILES ../test_problems/diamondSurf/Makefile" ;; + "../config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS ../config.h" ;; + *) { { echo "$as_me:$LINENO: error: invalid argument: $ac_config_target" >&5 +echo "$as_me: error: invalid argument: $ac_config_target" >&2;} + { (exit 1); exit 1; }; };; + esac +done + +# If the user did not use the arguments to specify the items to instantiate, +# then the envvar interface is used. Set only those that are not. +# We use the long form for the default assignment because of an extremely +# bizarre bug on SunOS 4.1.3. +if $ac_need_defaults; then + test "${CONFIG_FILES+set}" = set || CONFIG_FILES=$config_files + test "${CONFIG_HEADERS+set}" = set || CONFIG_HEADERS=$config_headers +fi + +# Have a temporary directory for convenience. Make it in the build tree +# simply because there is no reason to put it here, and in addition, +# creating and moving files from /tmp can sometimes cause problems. +# Create a temporary directory, and hook for its removal unless debugging. +$debug || +{ + trap 'exit_status=$?; rm -rf $tmp && exit $exit_status' 0 + trap '{ (exit 1); exit 1; }' 1 2 13 15 +} + +# Create a (secure) tmp directory for tmp files. + +{ + tmp=`(umask 077 && mktemp -d -q "./confstatXXXXXX") 2>/dev/null` && + test -n "$tmp" && test -d "$tmp" +} || +{ + tmp=./confstat$$-$RANDOM + (umask 077 && mkdir $tmp) +} || +{ + echo "$me: cannot create a temporary directory in ." >&2 + { (exit 1); exit 1; } +} + +_ACEOF + +cat >>$CONFIG_STATUS <<_ACEOF + +# +# CONFIG_FILES section. +# + +# No need to generate the scripts if there are no CONFIG_FILES. +# This happens for instance when ./config.status config.h +if test -n "\$CONFIG_FILES"; then + # Protect against being on the right side of a sed subst in config.status. + sed 's/,@/@@/; 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do + if test $ac_beg -gt 1; then + sed "1,${ac_beg}d; ${ac_end}q" $tmp/subs.sed >$tmp/subs.frag + else + sed "${ac_end}q" $tmp/subs.sed >$tmp/subs.frag + fi + if test ! -s $tmp/subs.frag; then + ac_more_lines=false + else + # The purpose of the label and of the branching condition is to + # speed up the sed processing (if there are no `@' at all, there + # is no need to browse any of the substitutions). + # These are the two extra sed commands mentioned above. + (echo ':t + /@[a-zA-Z_][a-zA-Z_0-9]*@/!b' && cat $tmp/subs.frag) >$tmp/subs-$ac_sed_frag.sed + if test -z "$ac_sed_cmds"; then + ac_sed_cmds="sed -f $tmp/subs-$ac_sed_frag.sed" + else + ac_sed_cmds="$ac_sed_cmds | sed -f $tmp/subs-$ac_sed_frag.sed" + fi + ac_sed_frag=`expr $ac_sed_frag + 1` + ac_beg=$ac_end + ac_end=`expr $ac_end + $ac_max_sed_lines` + fi + done + if test -z "$ac_sed_cmds"; then + ac_sed_cmds=cat + fi +fi # test -n "$CONFIG_FILES" + +_ACEOF +cat >>$CONFIG_STATUS <<\_ACEOF +for ac_file in : $CONFIG_FILES; do test "x$ac_file" = x: && continue + # Support "outfile[:infile[:infile...]]", defaulting infile="outfile.in". + case $ac_file in + - | *:- | *:-:* ) # input from stdin + cat >$tmp/stdin + ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'` + ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;; 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We are building in place. + ac_srcdir=. + if test -z "$ac_top_builddir"; then + ac_top_srcdir=. + else + ac_top_srcdir=`echo $ac_top_builddir | sed 's,/$,,'` + fi ;; + [\\/]* | ?:[\\/]* ) # Absolute path. + ac_srcdir=$srcdir$ac_dir_suffix; + ac_top_srcdir=$srcdir ;; + *) # Relative path. + ac_srcdir=$ac_top_builddir$srcdir$ac_dir_suffix + ac_top_srcdir=$ac_top_builddir$srcdir ;; +esac +# Don't blindly perform a `cd "$ac_dir"/$ac_foo && pwd` since $ac_foo can be +# absolute. +ac_abs_builddir=`cd "$ac_dir" && cd $ac_builddir && pwd` +ac_abs_top_builddir=`cd "$ac_dir" && cd ${ac_top_builddir}. && pwd` +ac_abs_srcdir=`cd "$ac_dir" && cd $ac_srcdir && pwd` +ac_abs_top_srcdir=`cd "$ac_dir" && cd $ac_top_srcdir && pwd` + + + case $INSTALL in + [\\/$]* | ?:[\\/]* ) ac_INSTALL=$INSTALL ;; + *) ac_INSTALL=$ac_top_builddir$INSTALL ;; + esac + + if test x"$ac_file" != x-; then + { echo "$as_me:$LINENO: creating $ac_file" >&5 +echo "$as_me: creating $ac_file" >&6;} + rm -f "$ac_file" + fi + # Let's still pretend it is `configure' which instantiates (i.e., don't + # use $as_me), people would be surprised to read: + # /* config.h. Generated by config.status. */ + if test x"$ac_file" = x-; then + configure_input= + else + configure_input="$ac_file. " + fi + configure_input=$configure_input"Generated from `echo $ac_file_in | + sed 's,.*/,,'` by configure." + + # First look for the input files in the build tree, otherwise in the + # src tree. + ac_file_inputs=`IFS=: + for f in $ac_file_in; do + case $f in + -) echo $tmp/stdin ;; + [\\/$]*) + # Absolute (can't be DOS-style, as IFS=:) + test -f "$f" || { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5 +echo "$as_me: error: cannot find input file: $f" >&2;} + { (exit 1); exit 1; }; } + echo $f;; + *) # Relative + if test -f "$f"; then + # Build tree + echo $f + elif test -f "$srcdir/$f"; then + # Source tree + echo $srcdir/$f + else + # /dev/null tree + { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5 +echo "$as_me: error: cannot find input file: $f" >&2;} + { (exit 1); exit 1; }; } + fi;; + esac + done` || { (exit 1); exit 1; } +_ACEOF +cat >>$CONFIG_STATUS <<_ACEOF + sed "$ac_vpsub +$extrasub +_ACEOF +cat >>$CONFIG_STATUS <<\_ACEOF +:t +/@[a-zA-Z_][a-zA-Z_0-9]*@/!b +s,@configure_input@,$configure_input,;t t +s,@srcdir@,$ac_srcdir,;t t +s,@abs_srcdir@,$ac_abs_srcdir,;t t +s,@top_srcdir@,$ac_top_srcdir,;t t +s,@abs_top_srcdir@,$ac_abs_top_srcdir,;t t +s,@builddir@,$ac_builddir,;t t +s,@abs_builddir@,$ac_abs_builddir,;t t +s,@top_builddir@,$ac_top_builddir,;t t +s,@abs_top_builddir@,$ac_abs_top_builddir,;t t +s,@INSTALL@,$ac_INSTALL,;t t +" $ac_file_inputs | (eval "$ac_sed_cmds") >$tmp/out + rm -f $tmp/stdin + if test x"$ac_file" != x-; then + mv $tmp/out $ac_file + else + cat $tmp/out + rm -f $tmp/out fi - case "$ac_given_srcdir" in - .) srcdir=. - if test -z "$ac_dots"; then top_srcdir=. - else top_srcdir=`echo $ac_dots|sed 's%/$%%'`; fi ;; - /*) srcdir="$ac_given_srcdir$ac_dir_suffix"; top_srcdir="$ac_given_srcdir" ;; - *) # Relative path. - srcdir="$ac_dots$ac_given_srcdir$ac_dir_suffix" - top_srcdir="$ac_dots$ac_given_srcdir" ;; - esac +done +_ACEOF +cat >>$CONFIG_STATUS <<\_ACEOF - case "$ac_given_INSTALL" in - [/$]*) INSTALL="$ac_given_INSTALL" ;; - *) INSTALL="$ac_dots$ac_given_INSTALL" ;; - esac - - echo creating "$ac_file" - rm -f "$ac_file" - configure_input="Generated automatically from `echo $ac_file_in|sed 's%.*/%%'` by configure." - case "$ac_file" in - *Makefile*) ac_comsub="1i\\ -# $configure_input" ;; - *) ac_comsub= ;; - esac - - ac_file_inputs=`echo $ac_file_in|sed -e "s%^%$ac_given_srcdir/%" -e "s%:% $ac_given_srcdir/%g"` - sed -e "$ac_comsub -s%@configure_input@%$configure_input%g -s%@srcdir@%$srcdir%g -s%@top_srcdir@%$top_srcdir%g -s%@INSTALL@%$INSTALL%g -" $ac_file_inputs | (eval "$ac_sed_cmds") > $ac_file -fi; done -rm -f conftest.s* +# +# CONFIG_HEADER section. +# # These sed commands are passed to sed as "A NAME B NAME C VALUE D", where # NAME is the cpp macro being defined and VALUE is the value it is being given. # # ac_d sets the value in "#define NAME VALUE" lines. -ac_dA='s%^\([ ]*\)#\([ ]*define[ ][ ]*\)' -ac_dB='\([ ][ ]*\)[^ ]*%\1#\2' -ac_dC='\3' -ac_dD='%g' -# ac_u turns "#undef NAME" with trailing blanks into "#define NAME VALUE". -ac_uA='s%^\([ ]*\)#\([ ]*\)undef\([ ][ ]*\)' -ac_uB='\([ ]\)%\1#\2define\3' +ac_dA='s,^\([ ]*\)#\([ ]*define[ ][ ]*\)' +ac_dB='[ ].*$,\1#\2' +ac_dC=' ' +ac_dD=',;t' +# ac_u turns "#undef NAME" without trailing blanks into "#define NAME VALUE". +ac_uA='s,^\([ ]*\)#\([ ]*\)undef\([ ][ ]*\)' +ac_uB='$,\1#\2define\3' ac_uC=' ' -ac_uD='\4%g' -# ac_e turns "#undef NAME" without trailing blanks into "#define NAME VALUE". -ac_eA='s%^\([ ]*\)#\([ ]*\)undef\([ ][ ]*\)' -ac_eB='$%\1#\2define\3' -ac_eC=' ' -ac_eD='%g' +ac_uD=',;t' -if test "${CONFIG_HEADERS+set}" != set; then -EOF -cat >> $CONFIG_STATUS <> $CONFIG_STATUS <<\EOF -fi -for ac_file in .. $CONFIG_HEADERS; do if test "x$ac_file" != x..; then +for ac_file in : $CONFIG_HEADERS; do test "x$ac_file" = x: && continue # Support "outfile[:infile[:infile...]]", defaulting infile="outfile.in". - case "$ac_file" in - *:*) ac_file_in=`echo "$ac_file"|sed 's%[^:]*:%%'` - ac_file=`echo "$ac_file"|sed 's%:.*%%'` ;; - *) ac_file_in="${ac_file}.in" ;; + case $ac_file in + - | *:- | *:-:* ) # input from stdin + cat >$tmp/stdin + ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'` + ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;; + *:* ) ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'` + ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;; + * ) ac_file_in=$ac_file.in ;; esac - echo creating $ac_file + test x"$ac_file" != x- && { echo "$as_me:$LINENO: creating $ac_file" >&5 +echo "$as_me: creating $ac_file" >&6;} - rm -f conftest.frag conftest.in conftest.out - ac_file_inputs=`echo $ac_file_in|sed -e "s%^%$ac_given_srcdir/%" -e "s%:% $ac_given_srcdir/%g"` - cat $ac_file_inputs > conftest.in + # First look for the input files in the build tree, otherwise in the + # src tree. + ac_file_inputs=`IFS=: + for f in $ac_file_in; do + case $f in + -) echo $tmp/stdin ;; + [\\/$]*) + # Absolute (can't be DOS-style, as IFS=:) + test -f "$f" || { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5 +echo "$as_me: error: cannot find input file: $f" >&2;} + { (exit 1); exit 1; }; } + echo $f;; + *) # Relative + if test -f "$f"; then + # Build tree + echo $f + elif test -f "$srcdir/$f"; then + # Source tree + echo $srcdir/$f + else + # /dev/null tree + { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5 +echo "$as_me: error: cannot find input file: $f" >&2;} + { (exit 1); exit 1; }; } + fi;; + esac + done` || { (exit 1); exit 1; } + # Remove the trailing spaces. + sed 's/[ ]*$//' $ac_file_inputs >$tmp/in -EOF +_ACEOF -# Transform confdefs.h into a sed script conftest.vals that substitutes -# the proper values into config.h.in to produce config.h. And first: -# Protect against being on the right side of a sed subst in config.status. -# Protect against being in an unquoted here document in config.status. -rm -f conftest.vals -cat > conftest.hdr <<\EOF -s/[\\&%]/\\&/g -s%[\\$`]%\\&%g -s%#define \([A-Za-z_][A-Za-z0-9_]*\) *\(.*\)%${ac_dA}\1${ac_dB}\1${ac_dC}\2${ac_dD}%gp -s%ac_d%ac_u%gp -s%ac_u%ac_e%gp -EOF -sed -n -f conftest.hdr confdefs.h > conftest.vals -rm -f conftest.hdr +# Transform confdefs.h into two sed scripts, `conftest.defines' and +# `conftest.undefs', that substitutes the proper values into +# config.h.in to produce config.h. The first handles `#define' +# templates, and the second `#undef' templates. +# And first: Protect against being on the right side of a sed subst in +# config.status. Protect against being in an unquoted here document +# in config.status. +rm -f conftest.defines conftest.undefs +# Using a here document instead of a string reduces the quoting nightmare. +# Putting comments in sed scripts is not portable. +# +# `end' is used to avoid that the second main sed command (meant for +# 0-ary CPP macros) applies to n-ary macro definitions. +# See the Autoconf documentation for `clear'. +cat >confdef2sed.sed <<\_ACEOF +s/[\\&,]/\\&/g +s,[\\$`],\\&,g +t clear +: clear +s,^[ ]*#[ ]*define[ ][ ]*\([^ (][^ (]*\)\(([^)]*)\)[ ]*\(.*\)$,${ac_dA}\1${ac_dB}\1\2${ac_dC}\3${ac_dD},gp +t end +s,^[ ]*#[ ]*define[ ][ ]*\([^ ][^ ]*\)[ ]*\(.*\)$,${ac_dA}\1${ac_dB}\1${ac_dC}\2${ac_dD},gp +: end +_ACEOF +# If some macros were called several times there might be several times +# the same #defines, which is useless. Nevertheless, we may not want to +# sort them, since we want the *last* AC-DEFINE to be honored. +uniq confdefs.h | sed -n -f confdef2sed.sed >conftest.defines +sed 's/ac_d/ac_u/g' conftest.defines >conftest.undefs +rm -f confdef2sed.sed # This sed command replaces #undef with comments. This is necessary, for # example, in the case of _POSIX_SOURCE, which is predefined and required # on some systems where configure will not decide to define it. -cat >> conftest.vals <<\EOF -s%^[ ]*#[ ]*undef[ ][ ]*[a-zA-Z_][a-zA-Z_0-9]*%/* & */% -EOF - -# Break up conftest.vals because some shells have a limit on -# the size of here documents, and old seds have small limits too. +cat >>conftest.undefs <<\_ACEOF +s,^[ ]*#[ ]*undef[ ][ ]*[a-zA-Z_][a-zA-Z_0-9]*,/* & */, +_ACEOF +# Break up conftest.defines because some shells have a limit on the size +# of here documents, and old seds have small limits too (100 cmds). +echo ' # Handle all the #define templates only if necessary.' >>$CONFIG_STATUS +echo ' if grep "^[ ]*#[ ]*define" $tmp/in >/dev/null; then' >>$CONFIG_STATUS +echo ' # If there are no defines, we may have an empty if/fi' >>$CONFIG_STATUS +echo ' :' >>$CONFIG_STATUS rm -f conftest.tail -while : +while grep . conftest.defines >/dev/null do - ac_lines=`grep -c . conftest.vals` - # grep -c gives empty output for an empty file on some AIX systems. - if test -z "$ac_lines" || test "$ac_lines" -eq 0; then break; fi - # Write a limited-size here document to conftest.frag. - echo ' cat > conftest.frag <> $CONFIG_STATUS - sed ${ac_max_here_lines}q conftest.vals >> $CONFIG_STATUS + # Write a limited-size here document to $tmp/defines.sed. + echo ' cat >$tmp/defines.sed <>$CONFIG_STATUS + # Speed up: don't consider the non `#define' lines. + echo '/^[ ]*#[ ]*define/!b' >>$CONFIG_STATUS + # Work around the forget-to-reset-the-flag bug. + echo 't clr' >>$CONFIG_STATUS + echo ': clr' >>$CONFIG_STATUS + sed ${ac_max_here_lines}q conftest.defines >>$CONFIG_STATUS echo 'CEOF - sed -f conftest.frag conftest.in > conftest.out - rm -f conftest.in - mv conftest.out conftest.in -' >> $CONFIG_STATUS - sed 1,${ac_max_here_lines}d conftest.vals > conftest.tail - rm -f conftest.vals - mv conftest.tail conftest.vals + sed -f $tmp/defines.sed $tmp/in >$tmp/out + rm -f $tmp/in + mv $tmp/out $tmp/in +' >>$CONFIG_STATUS + sed 1,${ac_max_here_lines}d conftest.defines >conftest.tail + rm -f conftest.defines + mv conftest.tail conftest.defines done -rm -f conftest.vals +rm -f conftest.defines +echo ' fi # grep' >>$CONFIG_STATUS +echo >>$CONFIG_STATUS -cat >> $CONFIG_STATUS <<\EOF - rm -f conftest.frag conftest.h - echo "/* $ac_file. Generated automatically by configure. */" > conftest.h - cat conftest.in >> conftest.h - rm -f conftest.in - if cmp -s $ac_file conftest.h 2>/dev/null; then - echo "$ac_file is unchanged" - rm -f conftest.h +# Break up conftest.undefs because some shells have a limit on the size +# of here documents, and old seds have small limits too (100 cmds). +echo ' # Handle all the #undef templates' >>$CONFIG_STATUS +rm -f conftest.tail +while grep . conftest.undefs >/dev/null +do + # Write a limited-size here document to $tmp/undefs.sed. + echo ' cat >$tmp/undefs.sed <>$CONFIG_STATUS + # Speed up: don't consider the non `#undef' + echo '/^[ ]*#[ ]*undef/!b' >>$CONFIG_STATUS + # Work around the forget-to-reset-the-flag bug. + echo 't clr' >>$CONFIG_STATUS + echo ': clr' >>$CONFIG_STATUS + sed ${ac_max_here_lines}q conftest.undefs >>$CONFIG_STATUS + echo 'CEOF + sed -f $tmp/undefs.sed $tmp/in >$tmp/out + rm -f $tmp/in + mv $tmp/out $tmp/in +' >>$CONFIG_STATUS + sed 1,${ac_max_here_lines}d conftest.undefs >conftest.tail + rm -f conftest.undefs + mv conftest.tail conftest.undefs +done +rm -f conftest.undefs + +cat >>$CONFIG_STATUS <<\_ACEOF + # Let's still pretend it is `configure' which instantiates (i.e., don't + # use $as_me), people would be surprised to read: + # /* config.h. Generated by config.status. */ + if test x"$ac_file" = x-; then + echo "/* Generated by configure. */" >$tmp/config.h else - # Remove last slash and all that follows it. Not all systems have dirname. - ac_dir=`echo $ac_file|sed 's%/[^/][^/]*$%%'` - if test "$ac_dir" != "$ac_file" && test "$ac_dir" != .; then - # The file is in a subdirectory. - test ! -d "$ac_dir" && mkdir "$ac_dir" - fi - rm -f $ac_file - mv conftest.h $ac_file + echo "/* $ac_file. Generated by configure. */" >$tmp/config.h fi -fi; done + cat $tmp/in >>$tmp/config.h + rm -f $tmp/in + if test x"$ac_file" != x-; then + if diff $ac_file $tmp/config.h >/dev/null 2>&1; then + { echo "$as_me:$LINENO: $ac_file is unchanged" >&5 +echo "$as_me: $ac_file is unchanged" >&6;} + else + ac_dir=`(dirname "$ac_file") 2>/dev/null || +$as_expr X"$ac_file" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \ + X"$ac_file" : 'X\(//\)[^/]' \| \ + X"$ac_file" : 'X\(//\)$' \| \ + X"$ac_file" : 'X\(/\)' \| \ + . : '\(.\)' 2>/dev/null || +echo X"$ac_file" | + sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; } + /^X\(\/\/\)[^/].*/{ s//\1/; q; } + /^X\(\/\/\)$/{ s//\1/; q; } + /^X\(\/\).*/{ s//\1/; q; } + s/.*/./; q'` + { if $as_mkdir_p; then + mkdir -p "$ac_dir" + else + as_dir="$ac_dir" + as_dirs= + while test ! -d "$as_dir"; do + as_dirs="$as_dir $as_dirs" + as_dir=`(dirname "$as_dir") 2>/dev/null || +$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \ + X"$as_dir" : 'X\(//\)[^/]' \| \ + X"$as_dir" : 'X\(//\)$' \| \ + X"$as_dir" : 'X\(/\)' \| \ + . : '\(.\)' 2>/dev/null || +echo X"$as_dir" | + sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; } + /^X\(\/\/\)[^/].*/{ s//\1/; q; } + /^X\(\/\/\)$/{ s//\1/; q; } + /^X\(\/\).*/{ s//\1/; q; } + s/.*/./; q'` + done + test ! -n "$as_dirs" || mkdir $as_dirs + fi || { { echo "$as_me:$LINENO: error: cannot create directory \"$ac_dir\"" >&5 +echo "$as_me: error: cannot create directory \"$ac_dir\"" >&2;} + { (exit 1); exit 1; }; }; } -EOF -cat >> $CONFIG_STATUS <> $CONFIG_STATUS <<\EOF +cat >>$CONFIG_STATUS <<\_ACEOF -exit 0 -EOF +{ (exit 0); exit 0; } +_ACEOF chmod +x $CONFIG_STATUS -rm -fr confdefs* $ac_clean_files -test "$no_create" = yes || ${CONFIG_SHELL-/bin/sh} $CONFIG_STATUS || exit 1 - +ac_clean_files=$ac_clean_files_save + + +# configure is writing to config.log, and then calls config.status. +# config.status does its own redirection, appending to config.log. +# Unfortunately, on DOS this fails, as config.log is still kept open +# by configure, so config.status won't be able to write to it; its +# output is simply discarded. So we exec the FD to /dev/null, +# effectively closing config.log, so it can be properly (re)opened and +# appended to by config.status. When coming back to configure, we +# need to make the FD available again. +if test "$no_create" != yes; then + ac_cs_success=: + ac_config_status_args= + test "$silent" = yes && + ac_config_status_args="$ac_config_status_args --quiet" + exec 5>/dev/null + $SHELL $CONFIG_STATUS $ac_config_status_args || ac_cs_success=false + exec 5>>config.log + # Use ||, not &&, to avoid exiting from the if with $? = 1, which + # would make configure fail if this is the last instruction. + $ac_cs_success || { (exit 1); exit 1; } +fi + # ) if test "x${OS_IS_WIN}" = "x1"; then cp -f ../config.h ../Cantera/src @@ -2716,7 +5053,7 @@ else echo "Now start Visual Studio, open workspace 'win32/cantera.dsw'," echo "and build project 'all'. When this finishes, come back here and " echo "type 'make win' to make the Python and/or MATLAB interfaces." -fi -echo +fi +echo # $Log: configure.in,v diff --git a/config/configure.in b/config/configure.in index 8c68c0685..903a49154 100755 --- a/config/configure.in +++ b/config/configure.in @@ -415,12 +415,19 @@ BUILD_CLIB=1 # # Python Interface # -BUILD_PYTHON=1 +BUILD_PYTHON=0 +if test "x$PYTHON_PACKAGE" = "xfull"; then + BUILD_PYTHON=2 +elif test "x$PYTHON_PACKAGE" = "xminimal"; then + BUILD_PYTHON=1 +fi + WIN_PYTHON_CMD=python +if test $BUILD_PYTHON -gt 0; then if test -z "$PYTHON_CMD"; then AC_PATH_PROGS(PYTHON_CMD, python2 python, "none") if test "x$OS_IS_WIN" = "x1"; then - AC_PATH_PROGS(WIN_PYTHON_CMD, pythonw python, "none") + AC_PATH_PROGS(WIN_PYTHON_CMD, python, "none") WIN_PYTHON_CMD=`cygpath -a -w "$WIN_PYTHON_CMD" | sed 's/\\\/\\//g'` echo "Windows Python command: $WIN_PYTHON_CMD" fi @@ -436,6 +443,11 @@ if test "$PYTHON_CMD" = "none"; then echo "********************************************************************" exit 1 fi +else + PYTHON_CMD=none + WIN_PYTHON_CMD=none +fi + AC_SUBST(BUILD_PYTHON) if test "x$OS_IS_WIN" = "x1"; then AC_DEFINE_UNQUOTED(PYTHON_EXE,"$WIN_PYTHON_CMD") diff --git a/configure b/configure index a8c28eeb8..fcfed3b75 100755 --- a/configure +++ b/configure @@ -21,10 +21,14 @@ ####################################################################### -CANTERA_VERSION=${CANTERA_VERSION:="1.5.4"} +# If you define this to be , then instead of running this +# script as ./configure --prefix= you can just run it as +# ./configure CANTERA_CONFIG_PREFIX=${CANTERA_CONFIG_PREFIX:=""} + + #---------------------------------------------------------------------- # MS-Windows Options #---------------------------------------------------------------------- @@ -33,8 +37,8 @@ CANTERA_CONFIG_PREFIX=${CANTERA_CONFIG_PREFIX:=""} # a Windows PC. # # Cantera will be installed by default in c:\cantera. Change this to -# install it somewhere else -CANTERA_INSTALL_DIR=${CANTERA_INSTALL_DIR:="c:\cantera"} +# install it somewhere else. Use forward slashes in the path name. +CANTERA_INSTALL_DIR=${CANTERA_INSTALL_DIR:="c:/cantera"} # On a PC running MS-Windows, Cantera can be built either using # Microsoft Visual Studio, with the Visual C++ and Visual Fortran @@ -48,6 +52,7 @@ USE_VISUAL_STUDIO=${USE_VISUAL_STUDIO:="y"} FORTRAN_LIB_DIR="D:\Program Files\Microsoft Visual Studio\DF98\LIB" + #---------------------------------------------------------------------- # Language Interfaces #---------------------------------------------------------------------- @@ -59,9 +64,12 @@ FORTRAN_LIB_DIR="D:\Program Files\Microsoft Visual Studio\DF98\LIB" #------------ Python ------------------------------------------------- -# Cantera now requires that the Python interface be built, since it -# uses Python to process input files, even when Cantera is used from -# another language (e.g. MATLAB or C++). Python 2.0 or greater is +# Cantera uses Python to process .cti input files, so if you plan to +# use these, you need to have Python on your system. (If you will only +# use CTML input files, then you don't need Python at all.) + +# You only need to build the full Cantera Python interface if you plan +# to use Cantera from Python. If so, Python 2.0 or greater is # required, and the Numeric extensions for Python are needed too. See # file INSTALLING for more details. # @@ -73,16 +81,24 @@ FORTRAN_LIB_DIR="D:\Program Files\Microsoft Visual Studio\DF98\LIB" # instead of the system Python interpreter. #PYTHON_CMD=${PYTHON_CMD:="python"} +# Set to one of the following: +# full everything needed to use Cantera from Python +# minimal only enough to process .cti files +# none don't use Python at all; only CTML input files can be used. +PYTHON_PACKAGE=${PYTHON_PACKAGE:="full"} -# Use when site packages must be put in system directories -# but Cantera tutorials must be put in user space. -# (this is pretty much the norm on many multiuser unix systems) + +# Use when site packages must be put in system directories but Cantera +# tutorials must be put in user space. Note: an alternative to doing +# this is to put everything in user space, and define environment +# variable PYTHONPATH to tell Python where to find the Cantera package # SET_PYTHON_SITE_PACKAGE_TOPDIR=${SET_PYTHON_SITE_PACKAGE_TOPDIR:="n"} PYTHON_SITE_PACKAGE_TOPDIR=${PYTHON_SITE_PACKAGE_TOPDIR:="/usr/local"} + #----------- Matlab -------------------------------------------------- # Set this to "y" if you want to build the Matlab toolbox. Matlab must @@ -100,7 +116,8 @@ BUILD_MATLAB_TOOLBOX=${BUILD_MATLAB_TOOLBOX:="y"} # This allows you to derive your own classes from those provided by # Cantera and build them automatically along with the rest of Cantera. # All you need to do is specify the directory where your source code is -# located. +# located. This capability is not yet fully functional, but should work +# for C++ applications. USER_SRC_DIR="Cantera/user" # don't change this @@ -168,7 +185,8 @@ ENABLE_TPX='y' # # LAPACK_LIBRARY=-llapack # -# The options below do not need be set if you are using the default libraries. +# The options below do not need to be set if you are using the default +# libraries. # # Set to 'lower' or 'upper', depending on whether the procedure names # in the libraries are lowercase or uppercase. If you don't know, run @@ -216,6 +234,9 @@ SHARED=${SHARED:="-shared"} # Fortran compiler options #------------------------------------------------------------------- +# Note: the Fortran 90 interface is currently not available. Hopefully +# it will be back at a future date... + # Cantera uses some external procedures written in Fortran 77. # In addition, Cantera implements an interface for Fortran 90 # application programs. The parameters in this section apply @@ -232,11 +253,11 @@ FFLAGS=${FFLAGS:='-O2'} # the additional Fortran flags required for linking, if any #LFORT_FLAGS="-lF77 -lFI77" -# Fortran 90 module directory -FORT_MODULE_DIRECTORY=${FORT_MODULE_DIRECTORY:=$CANTERA_ROOT/include/fortran} +# Fortran 90 module directory +## FORT_MODULE_DIRECTORY=${FORT_MODULE_DIRECTORY:=$CANTERA_ROOT/include/fortran} # Fortran 90 module search path command -FORT_MODULE_PATH_CMD=${FORT_MODULE_PATH_CMD:="-I$FORT_MODULE_DIRECTORY"} +## FORT_MODULE_PATH_CMD=${FORT_MODULE_PATH_CMD:="-I$FORT_MODULE_DIRECTORY"} @@ -271,6 +292,8 @@ CT_SHARED_LIB=${CT_SHARED_LIB:=clib} # lowercase 'helvetica'. RPFONT=${RPFONT:="Helvetica"} + +CANTERA_VERSION=${CANTERA_VERSION:="1.5.4"} #----------------------------------------------------------------------- @@ -284,7 +307,7 @@ export RANLIB export BLAS_LIBRARY export BUILD_F90 export BUILD_FORTRAN_90_INTERFACE -export BUILD_PYTHON_INTERFACE +export PYTHON_PACKAGE export BUILD_MATLAB_TOOLBOX #export MATLAB_CMD export CANTERA_ROOT diff --git a/test_problems/cxx_ex/gri30.xml b/test_problems/cxx_ex/gri30.xml index 1f2df2f71..ad168f908 100644 --- a/test_problems/cxx_ex/gri30.xml +++ b/test_problems/cxx_ex/gri30.xml @@ -1,16 +1,17 @@ + - + - O H C N Ar + O H C N Ar - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO + H2 H O O2 OH H2O HO2 H2O2 C CH + CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O + CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH + N NH NH2 NH3 NNH NO NO2 N2O HNO CN + HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 + C3H8 CH2CHO CH3CHO 300.0 @@ -21,16 +22,16 @@ - + - O H C N Ar + O H C N Ar - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO + H2 H O O2 OH H2O HO2 H2O2 C CH + CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O + CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH + N NH NH2 NH3 NNH NO NO2 N2O HNO CN + HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 + C3H8 CH2CHO CH3CHO 300.0 @@ -41,16 +42,16 @@ - + - O H C N Ar + O H C N Ar - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO + H2 H O O2 OH H2O HO2 H2O2 C CH + CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O + CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH + N NH NH2 NH3 NNH NO NO2 N2O HNO CN + HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 + C3H8 CH2CHO CH3CHO 300.0 @@ -61,6148 +62,6148 @@ - + - + H:2 TPIS78 - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 + + + 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 + + + 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 + 38.000 + 2.920 + 0.000 + 0.790 + 280.000 - + H:1 L 7/88 - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 + + + 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, + -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 + + + 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, + 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 + 145.000 + 2.050 + 0.000 + 0.000 + 0.000 - + O:1 L 1/90 - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 + + + 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, + 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 + + + 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, + 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 + 80.000 + 2.750 + 0.000 + 0.000 + 0.000 - + O:2 TPIS89 - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 + + + 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, + 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 + + + 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, + -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 + 107.400 + 3.460 + 0.000 + 1.600 + 3.800 - + H:1 O:1 RUS 78 - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 + + + 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, + 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 + + + 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, + 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 + 80.000 + 2.750 + 0.000 + 0.000 + 0.000 - + H:2 O:1 L 8/89 - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 + + + 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, + 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 + + + 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, + 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 + 572.400 + 2.600 + 1.840 + 0.000 + 4.000 - + H:1 O:2 L 5/89 - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 + + + 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, + 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 + + + 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, + -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 + 107.400 + 3.460 + 0.000 + 0.000 + 1.000 - + H:2 O:2 L 7/88 - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 + + + 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, + 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 + + + 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, + -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 + 107.400 + 3.460 + 0.000 + 0.000 + 3.800 - + C:1 L11/88 - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 + + + 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, + 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 + + + 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, + -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 + 71.400 + 3.300 + 0.000 + 0.000 + 0.000 - + H:1 C:1 TPIS79 - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 + + + 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, + -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 + + + 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, + 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 + 80.000 + 2.750 + 0.000 + 0.000 + 0.000 - + H:2 C:1 L S/93 - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 + + + 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, + 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 + + + 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, + -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 + 144.000 + 3.800 + 0.000 + 0.000 + 0.000 - + H:2 C:1 L S/93 - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 + + + 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, + 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 + + + 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, + -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 + 144.000 + 3.800 + 0.000 + 0.000 + 0.000 - + H:3 C:1 L11/89 - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 + + + 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, + 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 + + + 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, + -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 + 144.000 + 3.800 + 0.000 + 0.000 + 0.000 - + H:4 C:1 L 8/88 - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 + + + 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, + 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 + + + 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, + -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 nonlinear - 141.400 - 3.750 - 0.000 - 2.600 - 13.000 + 141.400 + 3.750 + 0.000 + 2.600 + 13.000 - + C:1 O:1 TPIS79 - - - 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 + + + 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, + -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 - - - 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, - -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 + + + 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, + -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 linear - 98.100 - 3.650 - 0.000 - 1.950 - 1.800 + 98.100 + 3.650 + 0.000 + 1.950 + 1.800 - + C:1 O:2 L 7/88 - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 + + + 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, + -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 + + + 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, + -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 + 244.000 + 3.760 + 0.000 + 2.650 + 2.100 - + H:1 C:1 O:1 L12/89 - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 + + + 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, + 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 + + + 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, + -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 + 498.000 + 3.590 + 0.000 + 0.000 + 0.000 - + H:2 C:1 O:1 L 8/88 - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 + + + 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, + 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 + + + 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, + -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 + 498.000 + 3.590 + 0.000 + 0.000 + 2.000 - + H:3 C:1 O:1 GUNL93 - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 + + + 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, + 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 - - - 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, - -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 + + + 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, + -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 + 417.000 + 3.690 + 1.700 + 0.000 + 2.000 - + H:3 C:1 O:1 121686 - - - 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 + + + 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, + 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 - - - 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, - -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 + + + 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, + -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 + 417.000 + 3.690 + 1.700 + 0.000 + 2.000 - + H:4 C:1 O:1 L 8/88 - - - 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 + + + 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, + 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 - - - 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, - -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 + + + 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, + -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 nonlinear - 481.800 - 3.630 - 0.000 - 0.000 - 1.000 + 481.800 + 3.630 + 0.000 + 0.000 + 1.000 - + H:1 C:2 L 1/91 - - - 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 + + + 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, + -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 + + + 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, + -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 + 209.000 + 4.100 + 0.000 + 0.000 + 2.500 - + H:2 C:2 L 1/91 - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 + + + 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, + -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 + + + 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, + -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 + 209.000 + 4.100 + 0.000 + 0.000 + 2.500 - + H:3 C:2 L 2/92 - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 + + + 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, + 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 + + + 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, + -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 + 209.000 + 4.100 + 0.000 + 0.000 + 1.000 - + H:4 C:2 L 1/91 - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 + + + 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, + 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 + + + 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, + -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 + 280.800 + 3.970 + 0.000 + 0.000 + 1.500 - + H:5 C:2 L12/92 - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 + + + 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, + 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 + + + 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, + -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 + 252.300 + 4.300 + 0.000 + 0.000 + 1.500 - + H:6 C:2 L 8/88 - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 + + + 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, + 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 + + + 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, + -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 + 252.300 + 4.300 + 0.000 + 0.000 + 1.500 - + H:1 C:2 O:1 SRIC91 - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 + + + 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, + -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 + + + 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, + -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 + 150.000 + 2.500 + 0.000 + 0.000 + 1.000 - + H:2 C:2 O:1 L 5/90 - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 + + + 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, + -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 + + + 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, + -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 + 436.000 + 3.970 + 0.000 + 0.000 + 2.000 - + H:2 C:2 O:1 SRI91 - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 + + + 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, + -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 + + + 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, + -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 + 436.000 + 3.970 + 0.000 + 0.000 + 2.000 - + N:1 L 6/88 - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 + + + 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 - - - 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, - -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 + + + 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, + -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 + 71.400 + 3.300 + 0.000 + 0.000 + 0.000 - + H:1 N:1 And94 - - - 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 + + + 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, + -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 - - - 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, - -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 + + + 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, + -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 linear - 80.000 - 2.650 - 0.000 - 0.000 - 4.000 + 80.000 + 2.650 + 0.000 + 0.000 + 4.000 - + H:2 N:1 And89 - - - 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 + + + 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, + 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 - - - 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, - -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 + + + 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, + -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 nonlinear - 80.000 - 2.650 - 0.000 - 2.260 - 4.000 + 80.000 + 2.650 + 0.000 + 2.260 + 4.000 - + H:3 N:1 J 6/77 - - - 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 + + + 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, + 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 - - - 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, - -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 + + + 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, + -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 nonlinear - 481.000 - 2.920 - 1.470 - 0.000 - 10.000 + 481.000 + 2.920 + 1.470 + 0.000 + 10.000 - + H:1 N:2 T07/93 - - - 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 + + + 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, + 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 - - - 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, - -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 + + + 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, + -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 + 71.400 + 3.800 + 0.000 + 0.000 + 1.000 - + O:1 N:1 RUS 78 - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 + + + 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, + 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 + + + 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, + -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 + 97.530 + 3.620 + 0.000 + 1.760 + 4.000 - + O:2 N:1 L 7/88 - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 + + + 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, + 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 + + + 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, + -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 + 200.000 + 3.500 + 0.000 + 0.000 + 1.000 - + O:1 N:2 L 7/88 - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 + + + 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, + -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 + + + 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, + -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - + H:1 O:1 N:1 And93 - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 + + + 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, + 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 + + + 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, + -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 + 116.700 + 3.490 + 0.000 + 0.000 + 1.000 - + C:1 N:1 HBH92 - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 + + + 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, + -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 + + + 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, + 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 linear - 75.000 - 3.860 - 0.000 - 0.000 - 1.000 + 75.000 + 3.860 + 0.000 + 0.000 + 1.000 - + H:1 C:1 N:1 GRI/98 - - - 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 + + + 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, + -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 - - - 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, - -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 + + + 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, + -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 + 569.000 + 3.630 + 0.000 + 0.000 + 1.000 - + H:2 C:1 N:1 41687 - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 + + + 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, + -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 + + + 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, + 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 + 569.000 + 3.630 + 0.000 + 0.000 + 1.000 - + H:1 C:1 N:2 SRI/94 - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 + + + 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, + -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 + + + 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, + -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 + 150.000 + 2.500 + 0.000 + 0.000 + 1.000 - + H:1 C:1 O:1 N:1 BDEA94 - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 + + + 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, + -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 + + + 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, + -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - + H:1 C:1 O:1 N:1 BDEA94 - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 + + + 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, + 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 + + + 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, + -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - + H:1 C:1 O:1 N:1 BDEA94 - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 + + + 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, + 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 + + + 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, + -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - + C:1 O:1 N:1 EA 93 - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 + + + 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, + -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 + + + 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, + -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - + N:2 121286 - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 + + + 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, + -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 + + + 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, + -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 + 97.530 + 3.620 + 0.000 + 1.760 + 4.000 - + Ar:1 120186 - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 + + + 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 + + + 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 + 136.500 + 3.330 + 0.000 + 0.000 + 0.000 - + H:7 C:3 L 9/84 - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 + + + 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, + 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 + + + 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, + -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 + 266.800 + 4.980 + 0.000 + 0.000 + 1.000 - + H:8 C:3 L 4/85 - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 + + + 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, + 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 + + + 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, + -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 + 266.800 + 4.980 + 0.000 + 0.000 + 1.000 - + H:3 C:2 O:1 SAND86 - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 + + + 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, + 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 + + + 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, + -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 + 436.000 + 3.970 + 0.000 + 0.000 + 2.000 - + H:4 C:2 O:1 L 8/88 - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 + + + 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, + 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 + + + 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, + -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 + 436.000 + 3.970 + 0.000 + 0.000 + 2.000 - - + + 2 O + M [=] O2 + M - 1.200000E+11 - -1 - 0.000000 + 1.200000E+11 + -1 + 0.000000 - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 + AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 O:2 O2:1 - - + + O + H + M [=] OH + M - 5.000000E+11 - -1 - 0.000000 + 5.000000E+11 + -1 + 0.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H:1 O:1 OH:1 - - + + O + H2 [=] H + OH - 3.870000E+01 - 2.7000000000000002 - 6260.000000 + 3.870000E+01 + 2.7000000000000002 + 6260.000000 H2:1 O:1 H:1 OH:1 - - + + O + HO2 [=] OH + O2 - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 HO2:1 O:1 O2:1 OH:1 - - + + O + H2O2 [=] OH + HO2 - 9.630000E+03 - 2 - 4000.000000 + 9.630000E+03 + 2 + 4000.000000 H2O2:1 O:1 HO2:1 OH:1 - - + + O + CH [=] H + CO - 5.700000E+10 - 0 - 0.000000 + 5.700000E+10 + 0 + 0.000000 CH:1 O:1 H:1 CO:1 - - + + O + CH2 [=] H + HCO - 8.000000E+10 - 0 - 0.000000 + 8.000000E+10 + 0 + 0.000000 CH2:1 O:1 H:1 HCO:1 - - + + O + CH2(S) [=] H2 + CO - 1.500000E+10 - 0 - 0.000000 + 1.500000E+10 + 0 + 0.000000 CH2(S):1 O:1 H2:1 CO:1 - - + + O + CH2(S) [=] H + HCO - 1.500000E+10 - 0 - 0.000000 + 1.500000E+10 + 0 + 0.000000 CH2(S):1 O:1 H:1 HCO:1 - - + + O + CH3 [=] H + CH2O - 5.060000E+10 - 0 - 0.000000 + 5.060000E+10 + 0 + 0.000000 CH3:1 O:1 CH2O:1 H:1 - - + + O + CH4 [=] OH + CH3 - 1.020000E+06 - 1.5 - 8600.000000 + 1.020000E+06 + 1.5 + 8600.000000 CH4:1 O:1 CH3:1 OH:1 - - + + O + CO (+ M) [=] CO2 (+ M) - 1.800000E+07 - 0 - 2385.000000 + 1.800000E+07 + 0 + 2385.000000 - 6.020000E+08 - 0 - 3000.000000 + 6.020000E+08 + 0 + 3000.000000 - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 + AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 CO:1 O:1 CO2:1 - - + + O + HCO [=] OH + CO - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 HCO:1 O:1 CO:1 OH:1 - - + + O + HCO [=] H + CO2 - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 HCO:1 O:1 H:1 CO2:1 - - + + O + CH2O [=] OH + HCO - 3.900000E+10 - 0 - 3540.000000 + 3.900000E+10 + 0 + 3540.000000 CH2O:1 O:1 HCO:1 OH:1 - - + + O + CH2OH [=] OH + CH2O - 1.000000E+10 - 0 - 0.000000 + 1.000000E+10 + 0 + 0.000000 CH2OH:1 O:1 CH2O:1 OH:1 - - + + O + CH3O [=] OH + CH2O - 1.000000E+10 - 0 - 0.000000 + 1.000000E+10 + 0 + 0.000000 CH3O:1 O:1 CH2O:1 OH:1 - - + + O + CH3OH [=] OH + CH2OH - 3.880000E+02 - 2.5 - 3100.000000 + 3.880000E+02 + 2.5 + 3100.000000 CH3OH:1 O:1 CH2OH:1 OH:1 - - + + O + CH3OH [=] OH + CH3O - 1.300000E+02 - 2.5 - 5000.000000 + 1.300000E+02 + 2.5 + 5000.000000 CH3OH:1 O:1 CH3O:1 OH:1 - - + + O + C2H [=] CH + CO - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 C2H:1 O:1 CH:1 CO:1 - - + + O + C2H2 [=] H + HCCO - 1.350000E+04 - 2 - 1900.000000 + 1.350000E+04 + 2 + 1900.000000 C2H2:1 O:1 H:1 HCCO:1 - - + + O + C2H2 [=] OH + C2H - 4.600000E+16 - -1.4099999999999999 - 28950.000000 + 4.600000E+16 + -1.4099999999999999 + 28950.000000 C2H2:1 O:1 C2H:1 OH:1 - - + + O + C2H2 [=] CO + CH2 - 6.940000E+03 - 2 - 1900.000000 + 6.940000E+03 + 2 + 1900.000000 C2H2:1 O:1 CH2:1 CO:1 - - + + O + C2H3 [=] H + CH2CO - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 C2H3:1 O:1 H:1 CH2CO:1 - - + + O + C2H4 [=] CH3 + HCO - 1.250000E+04 - 1.8300000000000001 - 220.000000 + 1.250000E+04 + 1.8300000000000001 + 220.000000 C2H4:1 O:1 CH3:1 HCO:1 - - + + O + C2H5 [=] CH3 + CH2O - 2.240000E+10 - 0 - 0.000000 + 2.240000E+10 + 0 + 0.000000 C2H5:1 O:1 CH2O:1 CH3:1 - - + + O + C2H6 [=] OH + C2H5 - 8.980000E+04 - 1.9199999999999999 - 5690.000000 + 8.980000E+04 + 1.9199999999999999 + 5690.000000 C2H6:1 O:1 C2H5:1 OH:1 - - + + O + HCCO [=] H + 2 CO - 1.000000E+11 - 0 - 0.000000 + 1.000000E+11 + 0 + 0.000000 HCCO:1 O:1 H:1 CO:2 - - + + O + CH2CO [=] OH + HCCO - 1.000000E+10 - 0 - 8000.000000 + 1.000000E+10 + 0 + 8000.000000 CH2CO:1 O:1 HCCO:1 OH:1 - - + + O + CH2CO [=] CH2 + CO2 - 1.750000E+09 - 0 - 1350.000000 + 1.750000E+09 + 0 + 1350.000000 CH2CO:1 O:1 CH2:1 CO2:1 - - + + O2 + CO [=] O + CO2 - 2.500000E+09 - 0 - 47800.000000 + 2.500000E+09 + 0 + 47800.000000 CO:1 O2:1 CO2:1 O:1 - - + + O2 + CH2O [=] HO2 + HCO - 1.000000E+11 - 0 - 40000.000000 + 1.000000E+11 + 0 + 40000.000000 CH2O:1 O2:1 HO2:1 HCO:1 - - + + H + O2 + M [=] HO2 + M - 2.800000E+12 - -0.85999999999999999 - 0.000000 + 2.800000E+12 + -0.85999999999999999 + 0.000000 - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 + AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 H:1 O2:1 HO2:1 - - + + H + 2 O2 [=] HO2 + O2 - 2.080000E+13 - -1.24 - 0.000000 + 2.080000E+13 + -1.24 + 0.000000 H:1 O2:2 HO2:1 O2:1 - - + + H + O2 + H2O [=] HO2 + H2O - 1.126000E+13 - -0.76000000000000001 - 0.000000 + 1.126000E+13 + -0.76000000000000001 + 0.000000 H:1 H2O:1 O2:1 H2O:1 HO2:1 - - + + H + O2 + N2 [=] HO2 + N2 - 2.600000E+13 - -1.24 - 0.000000 + 2.600000E+13 + -1.24 + 0.000000 H:1 N2:1 O2:1 N2:1 HO2:1 - - + + H + O2 + AR [=] HO2 + AR - 7.000000E+11 - -0.80000000000000004 - 0.000000 + 7.000000E+11 + -0.80000000000000004 + 0.000000 H:1 AR:1 O2:1 AR:1 HO2:1 - - + + H + O2 [=] O + OH - 2.650000E+13 - -0.67069999999999996 - 17041.000000 + 2.650000E+13 + -0.67069999999999996 + 17041.000000 H:1 O2:1 O:1 OH:1 - - + + 2 H + M [=] H2 + M - 1.000000E+12 - -1 - 0.000000 + 1.000000E+12 + -1 + 0.000000 - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 + AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 H:2 H2:1 - - + + 2 H + H2 [=] 2 H2 - 9.000000E+10 - -0.59999999999999998 - 0.000000 + 9.000000E+10 + -0.59999999999999998 + 0.000000 H2:1 H:2 H2:2 - - + + 2 H + H2O [=] H2 + H2O - 6.000000E+13 - -1.25 - 0.000000 + 6.000000E+13 + -1.25 + 0.000000 H:2 H2O:1 H2:1 H2O:1 - - + + 2 H + CO2 [=] H2 + CO2 - 5.500000E+14 - -2 - 0.000000 + 5.500000E+14 + -2 + 0.000000 H:2 CO2:1 H2:1 CO2:1 - - + + H + OH + M [=] H2O + M - 2.200000E+16 - -2 - 0.000000 + 2.200000E+16 + -2 + 0.000000 - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 + AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 H:1 OH:1 H2O:1 - - + + H + HO2 [=] O + H2O - 3.970000E+09 - 0 - 671.000000 + 3.970000E+09 + 0 + 671.000000 H:1 HO2:1 H2O:1 O:1 - - + + H + HO2 [=] O2 + H2 - 4.480000E+10 - 0 - 1068.000000 + 4.480000E+10 + 0 + 1068.000000 H:1 HO2:1 H2:1 O2:1 - - + + H + HO2 [=] 2 OH - 8.400000E+10 - 0 - 635.000000 + 8.400000E+10 + 0 + 635.000000 H:1 HO2:1 OH:2 - - + + H + H2O2 [=] HO2 + H2 - 1.210000E+04 - 2 - 5200.000000 + 1.210000E+04 + 2 + 5200.000000 H:1 H2O2:1 H2:1 HO2:1 - - + + H + H2O2 [=] OH + H2O - 1.000000E+10 - 0 - 3600.000000 + 1.000000E+10 + 0 + 3600.000000 H:1 H2O2:1 H2O:1 OH:1 - - + + H + CH [=] C + H2 - 1.650000E+11 - 0 - 0.000000 + 1.650000E+11 + 0 + 0.000000 H:1 CH:1 H2:1 C:1 - - + + H + CH2 (+ M) [=] CH3 (+ M) - 6.000000E+11 - 0 - 0.000000 + 6.000000E+11 + 0 + 0.000000 - 1.040000E+20 - -2.7599999999999998 - 1600.000000 + 1.040000E+20 + -2.7599999999999998 + 1600.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.562 91 5836 8552 H:1 CH2:1 CH3:1 - - + + H + CH2(S) [=] CH + H2 - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 H:1 CH2(S):1 H2:1 CH:1 - - + + H + CH3 (+ M) [=] CH4 (+ M) - 1.390000E+13 - -0.53400000000000003 - 536.000000 + 1.390000E+13 + -0.53400000000000003 + 536.000000 - 2.620000E+27 - -4.7599999999999998 - 2440.000000 + 2.620000E+27 + -4.7599999999999998 + 2440.000000 - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 0.783 74 2941 6964 H:1 CH3:1 CH4:1 - - + + H + CH4 [=] CH3 + H2 - 6.600000E+05 - 1.6200000000000001 - 10840.000000 + 6.600000E+05 + 1.6200000000000001 + 10840.000000 H:1 CH4:1 H2:1 CH3:1 - - + + H + HCO (+ M) [=] CH2O (+ M) - 1.090000E+09 - 0.47999999999999998 - -260.000000 + 1.090000E+09 + 0.47999999999999998 + -260.000000 - 2.470000E+18 - -2.5699999999999998 - 425.000000 + 2.470000E+18 + -2.5699999999999998 + 425.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.7824 271 2755 6570 H:1 HCO:1 CH2O:1 - - + + H + HCO [=] H2 + CO - 7.340000E+10 - 0 - 0.000000 + 7.340000E+10 + 0 + 0.000000 H:1 HCO:1 H2:1 CO:1 - - + + H + CH2O (+ M) [=] CH2OH (+ M) - 5.400000E+08 - 0.45400000000000001 - 3600.000000 + 5.400000E+08 + 0.45400000000000001 + 3600.000000 - 1.270000E+26 - -4.8200000000000003 - 6530.000000 + 1.270000E+26 + -4.8200000000000003 + 6530.000000 - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.7187 103 1291 4160 CH2O:1 H:1 CH2OH:1 - - + + H + CH2O (+ M) [=] CH3O (+ M) - 5.400000E+08 - 0.45400000000000001 - 2600.000000 + 5.400000E+08 + 0.45400000000000001 + 2600.000000 - 2.200000E+24 - -4.7999999999999998 - 5560.000000 + 2.200000E+24 + -4.7999999999999998 + 5560.000000 - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.758 94 1555 4200 CH2O:1 H:1 CH3O:1 - - + + H + CH2O [=] HCO + H2 - 5.740000E+04 - 1.8999999999999999 - 2742.000000 + 5.740000E+04 + 1.8999999999999999 + 2742.000000 CH2O:1 H:1 H2:1 HCO:1 - - + + H + CH2OH (+ M) [=] CH3OH (+ M) - 1.055000E+09 - 0.5 - 86.000000 + 1.055000E+09 + 0.5 + 86.000000 - 4.360000E+25 - -4.6500000000000004 - 5080.000000 + 4.360000E+25 + -4.6500000000000004 + 5080.000000 - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.6 100 90000 10000 H:1 CH2OH:1 CH3OH:1 - - + + H + CH2OH [=] H2 + CH2O - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 H:1 CH2OH:1 H2:1 CH2O:1 - - + + H + CH2OH [=] OH + CH3 - 1.650000E+08 - 0.65000000000000002 - -284.000000 + 1.650000E+08 + 0.65000000000000002 + -284.000000 H:1 CH2OH:1 CH3:1 OH:1 - - + + H + CH2OH [=] CH2(S) + H2O - 3.280000E+10 - -0.089999999999999997 - 610.000000 + 3.280000E+10 + -0.089999999999999997 + 610.000000 H:1 CH2OH:1 CH2(S):1 H2O:1 - - + + H + CH3O (+ M) [=] CH3OH (+ M) - 2.430000E+09 - 0.51500000000000001 - 50.000000 + 2.430000E+09 + 0.51500000000000001 + 50.000000 - 4.660000E+35 - -7.4400000000000004 - 14080.000000 + 4.660000E+35 + -7.4400000000000004 + 14080.000000 - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.7 100 90000 10000 H:1 CH3O:1 CH3OH:1 - - + + H + CH3O [=] H + CH2OH - 4.150000E+04 - 1.6299999999999999 - 1924.000000 + 4.150000E+04 + 1.6299999999999999 + 1924.000000 H:1 CH3O:1 H:1 CH2OH:1 - - + + H + CH3O [=] H2 + CH2O - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 H:1 CH3O:1 H2:1 CH2O:1 - - + + H + CH3O [=] OH + CH3 - 1.500000E+09 - 0.5 - -110.000000 + 1.500000E+09 + 0.5 + -110.000000 H:1 CH3O:1 CH3:1 OH:1 - - + + H + CH3O [=] CH2(S) + H2O - 2.620000E+11 - -0.23000000000000001 - 1070.000000 + 2.620000E+11 + -0.23000000000000001 + 1070.000000 H:1 CH3O:1 CH2(S):1 H2O:1 - - + + H + CH3OH [=] CH2OH + H2 - 1.700000E+04 - 2.1000000000000001 - 4870.000000 + 1.700000E+04 + 2.1000000000000001 + 4870.000000 CH3OH:1 H:1 H2:1 CH2OH:1 - - + + H + CH3OH [=] CH3O + H2 - 4.200000E+03 - 2.1000000000000001 - 4870.000000 + 4.200000E+03 + 2.1000000000000001 + 4870.000000 CH3OH:1 H:1 H2:1 CH3O:1 - - + + H + C2H (+ M) [=] C2H2 (+ M) - 1.000000E+14 - -1 - 0.000000 + 1.000000E+14 + -1 + 0.000000 - 3.750000E+27 - -4.7999999999999998 - 1900.000000 + 3.750000E+27 + -4.7999999999999998 + 1900.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.6464 132 1315 5566 H:1 C2H:1 C2H2:1 - - + + H + C2H2 (+ M) [=] C2H3 (+ M) - 5.600000E+09 - 0 - 2400.000000 + 5.600000E+09 + 0 + 2400.000000 - 3.800000E+34 - -7.2699999999999996 - 7220.000000 + 3.800000E+34 + -7.2699999999999996 + 7220.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.7507 98.5 1302 4167 H:1 C2H2:1 C2H3:1 - - + + H + C2H3 (+ M) [=] C2H4 (+ M) - 6.080000E+09 - 0.27000000000000002 - 280.000000 + 6.080000E+09 + 0.27000000000000002 + 280.000000 - 1.400000E+24 - -3.8599999999999999 - 3320.000000 + 1.400000E+24 + -3.8599999999999999 + 3320.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.782 207.5 2663 6095 H:1 C2H3:1 C2H4:1 - - + + H + C2H3 [=] H2 + C2H2 - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 H:1 C2H3:1 H2:1 C2H2:1 - - + + H + C2H4 (+ M) [=] C2H5 (+ M) - 5.400000E+08 - 0.45400000000000001 - 1820.000000 + 5.400000E+08 + 0.45400000000000001 + 1820.000000 - 6.000000E+35 - -7.6200000000000001 - 6970.000000 + 6.000000E+35 + -7.6200000000000001 + 6970.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.9753 210 984 4374 H:1 C2H4:1 C2H5:1 - - + + H + C2H4 [=] C2H3 + H2 - 1.325000E+03 - 2.5299999999999998 - 12240.000000 + 1.325000E+03 + 2.5299999999999998 + 12240.000000 H:1 C2H4:1 H2:1 C2H3:1 - - + + H + C2H5 (+ M) [=] C2H6 (+ M) - 5.210000E+14 - -0.98999999999999999 - 1580.000000 + 5.210000E+14 + -0.98999999999999999 + 1580.000000 - 1.990000E+35 - -7.0800000000000001 - 6685.000000 + 1.990000E+35 + -7.0800000000000001 + 6685.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.8422 125 2219 6882 H:1 C2H5:1 C2H6:1 - - + + H + C2H5 [=] H2 + C2H4 - 2.000000E+09 - 0 - 0.000000 + 2.000000E+09 + 0 + 0.000000 H:1 C2H5:1 H2:1 C2H4:1 - - + + H + C2H6 [=] C2H5 + H2 - 1.150000E+05 - 1.8999999999999999 - 7530.000000 + 1.150000E+05 + 1.8999999999999999 + 7530.000000 H:1 C2H6:1 H2:1 C2H5:1 - - + + H + HCCO [=] CH2(S) + CO - 1.000000E+11 - 0 - 0.000000 + 1.000000E+11 + 0 + 0.000000 H:1 HCCO:1 CH2(S):1 CO:1 - - + + H + CH2CO [=] HCCO + H2 - 5.000000E+10 - 0 - 8000.000000 + 5.000000E+10 + 0 + 8000.000000 H:1 CH2CO:1 H2:1 HCCO:1 - - + + H + CH2CO [=] CH3 + CO - 1.130000E+10 - 0 - 3428.000000 + 1.130000E+10 + 0 + 3428.000000 H:1 CH2CO:1 CH3:1 CO:1 - - + + H + HCCOH [=] H + CH2CO - 1.000000E+10 - 0 - 0.000000 + 1.000000E+10 + 0 + 0.000000 H:1 HCCOH:1 H:1 CH2CO:1 - - + + H2 + CO (+ M) [=] CH2O (+ M) - 4.300000E+04 - 1.5 - 79600.000000 + 4.300000E+04 + 1.5 + 79600.000000 - 5.070000E+21 - -3.4199999999999999 - 84350.000000 + 5.070000E+21 + -3.4199999999999999 + 84350.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.932 197 1540 10300 H2:1 CO:1 CH2O:1 - - + + OH + H2 [=] H + H2O - 2.160000E+05 - 1.51 - 3430.000000 + 2.160000E+05 + 1.51 + 3430.000000 H2:1 OH:1 H:1 H2O:1 - - + + 2 OH (+ M) [=] H2O2 (+ M) - 7.400000E+10 - -0.37 - 0.000000 + 7.400000E+10 + -0.37 + 0.000000 - 2.300000E+12 - -0.90000000000000002 - -1700.000000 + 2.300000E+12 + -0.90000000000000002 + -1700.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.7346 94 1756 5182 OH:2 H2O2:1 - - + + 2 OH [=] O + H2O - 3.570000E+01 - 2.3999999999999999 - -2110.000000 + 3.570000E+01 + 2.3999999999999999 + -2110.000000 OH:2 H2O:1 O:1 - - + + OH + HO2 [=] O2 + H2O - 1.450000E+10 - 0 - -500.000000 + 1.450000E+10 + 0 + -500.000000 HO2:1 OH:1 H2O:1 O2:1 - - + + OH + H2O2 [=] HO2 + H2O - 2.000000E+09 - 0 - 427.000000 + 2.000000E+09 + 0 + 427.000000 H2O2:1 OH:1 H2O:1 HO2:1 - - + + OH + H2O2 [=] HO2 + H2O - 1.700000E+15 - 0 - 29410.000000 + 1.700000E+15 + 0 + 29410.000000 H2O2:1 OH:1 H2O:1 HO2:1 - - + + OH + C [=] H + CO - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 C:1 OH:1 H:1 CO:1 - - + + OH + CH [=] H + HCO - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 CH:1 OH:1 H:1 HCO:1 - - + + OH + CH2 [=] H + CH2O - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 CH2:1 OH:1 CH2O:1 H:1 - - + + OH + CH2 [=] CH + H2O - 1.130000E+04 - 2 - 3000.000000 + 1.130000E+04 + 2 + 3000.000000 CH2:1 OH:1 H2O:1 CH:1 - - + + OH + CH2(S) [=] H + CH2O - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 CH2(S):1 OH:1 CH2O:1 H:1 - - + + OH + CH3 (+ M) [=] CH3OH (+ M) - 2.790000E+15 - -1.4299999999999999 - 1330.000000 + 2.790000E+15 + -1.4299999999999999 + 1330.000000 - 4.000000E+30 - -5.9199999999999999 - 3140.000000 + 4.000000E+30 + -5.9199999999999999 + 3140.000000 - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.412 195 5900 6394 CH3:1 OH:1 CH3OH:1 - - + + OH + CH3 [=] CH2 + H2O - 5.600000E+04 - 1.6000000000000001 - 5420.000000 + 5.600000E+04 + 1.6000000000000001 + 5420.000000 CH3:1 OH:1 CH2:1 H2O:1 - - + + OH + CH3 [=] CH2(S) + H2O - 6.440000E+14 - -1.3400000000000001 - 1417.000000 + 6.440000E+14 + -1.3400000000000001 + 1417.000000 CH3:1 OH:1 CH2(S):1 H2O:1 - - + + OH + CH4 [=] CH3 + H2O - 1.000000E+05 - 1.6000000000000001 - 3120.000000 + 1.000000E+05 + 1.6000000000000001 + 3120.000000 CH4:1 OH:1 H2O:1 CH3:1 - - + + OH + CO [=] H + CO2 - 4.760000E+04 - 1.228 - 70.000000 + 4.760000E+04 + 1.228 + 70.000000 CO:1 OH:1 H:1 CO2:1 - - + + OH + HCO [=] H2O + CO - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 HCO:1 OH:1 H2O:1 CO:1 - - + + OH + CH2O [=] HCO + H2O - 3.430000E+06 - 1.1799999999999999 - -447.000000 + 3.430000E+06 + 1.1799999999999999 + -447.000000 CH2O:1 OH:1 H2O:1 HCO:1 - - + + OH + CH2OH [=] H2O + CH2O - 5.000000E+09 - 0 - 0.000000 + 5.000000E+09 + 0 + 0.000000 CH2OH:1 OH:1 CH2O:1 H2O:1 - - + + OH + CH3O [=] H2O + CH2O - 5.000000E+09 - 0 - 0.000000 + 5.000000E+09 + 0 + 0.000000 CH3O:1 OH:1 CH2O:1 H2O:1 - - + + OH + CH3OH [=] CH2OH + H2O - 1.440000E+03 - 2 - -840.000000 + 1.440000E+03 + 2 + -840.000000 CH3OH:1 OH:1 CH2OH:1 H2O:1 - - + + OH + CH3OH [=] CH3O + H2O - 6.300000E+03 - 2 - 1500.000000 + 6.300000E+03 + 2 + 1500.000000 CH3OH:1 OH:1 H2O:1 CH3O:1 - - + + OH + C2H [=] H + HCCO - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 C2H:1 OH:1 H:1 HCCO:1 - - + + OH + C2H2 [=] H + CH2CO - 2.180000E-07 - 4.5 - -1000.000000 + 2.180000E-07 + 4.5 + -1000.000000 C2H2:1 OH:1 H:1 CH2CO:1 - - + + OH + C2H2 [=] H + HCCOH - 5.040000E+02 - 2.2999999999999998 - 13500.000000 + 5.040000E+02 + 2.2999999999999998 + 13500.000000 C2H2:1 OH:1 H:1 HCCOH:1 - - + + OH + C2H2 [=] C2H + H2O - 3.370000E+04 - 2 - 14000.000000 + 3.370000E+04 + 2 + 14000.000000 C2H2:1 OH:1 C2H:1 H2O:1 - - + + OH + C2H2 [=] CH3 + CO - 4.830000E-07 - 4 - -2000.000000 + 4.830000E-07 + 4 + -2000.000000 C2H2:1 OH:1 CH3:1 CO:1 - - + + OH + C2H3 [=] H2O + C2H2 - 5.000000E+09 - 0 - 0.000000 + 5.000000E+09 + 0 + 0.000000 C2H3:1 OH:1 H2O:1 C2H2:1 - - + + OH + C2H4 [=] C2H3 + H2O - 3.600000E+03 - 2 - 2500.000000 + 3.600000E+03 + 2 + 2500.000000 C2H4:1 OH:1 H2O:1 C2H3:1 - - + + OH + C2H6 [=] C2H5 + H2O - 3.540000E+03 - 2.1200000000000001 - 870.000000 + 3.540000E+03 + 2.1200000000000001 + 870.000000 C2H6:1 OH:1 C2H5:1 H2O:1 - - + + OH + CH2CO [=] HCCO + H2O - 7.500000E+09 - 0 - 2000.000000 + 7.500000E+09 + 0 + 2000.000000 CH2CO:1 OH:1 H2O:1 HCCO:1 - - + + 2 HO2 [=] O2 + H2O2 - 1.300000E+08 - 0 - -1630.000000 + 1.300000E+08 + 0 + -1630.000000 HO2:2 O2:1 H2O2:1 - - + + 2 HO2 [=] O2 + H2O2 - 4.200000E+11 - 0 - 12000.000000 + 4.200000E+11 + 0 + 12000.000000 HO2:2 O2:1 H2O2:1 - - + + HO2 + CH2 [=] OH + CH2O - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 CH2:1 HO2:1 CH2O:1 OH:1 - - + + HO2 + CH3 [=] O2 + CH4 - 1.000000E+09 - 0 - 0.000000 + 1.000000E+09 + 0 + 0.000000 CH3:1 HO2:1 CH4:1 O2:1 - - + + HO2 + CH3 [=] OH + CH3O - 3.780000E+10 - 0 - 0.000000 + 3.780000E+10 + 0 + 0.000000 CH3:1 HO2:1 CH3O:1 OH:1 - - + + HO2 + CO [=] OH + CO2 - 1.500000E+11 - 0 - 23600.000000 + 1.500000E+11 + 0 + 23600.000000 CO:1 HO2:1 CO2:1 OH:1 - - + + HO2 + CH2O [=] HCO + H2O2 - 5.600000E+03 - 2 - 12000.000000 + 5.600000E+03 + 2 + 12000.000000 CH2O:1 HO2:1 HCO:1 H2O2:1 - - + + C + O2 [=] O + CO - 5.800000E+10 - 0 - 576.000000 + 5.800000E+10 + 0 + 576.000000 C:1 O2:1 CO:1 O:1 - - + + C + CH2 [=] H + C2H - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 C:1 CH2:1 H:1 C2H:1 - - + + C + CH3 [=] H + C2H2 - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 C:1 CH3:1 H:1 C2H2:1 - - + + CH + O2 [=] O + HCO - 6.710000E+10 - 0 - 0.000000 + 6.710000E+10 + 0 + 0.000000 CH:1 O2:1 HCO:1 O:1 - - + + CH + H2 [=] H + CH2 - 1.080000E+11 - 0 - 3110.000000 + 1.080000E+11 + 0 + 3110.000000 H2:1 CH:1 H:1 CH2:1 - - + + CH + H2O [=] H + CH2O - 5.710000E+09 - 0 - -755.000000 + 5.710000E+09 + 0 + -755.000000 H2O:1 CH:1 CH2O:1 H:1 - - + + CH + CH2 [=] H + C2H2 - 4.000000E+10 - 0 - 0.000000 + 4.000000E+10 + 0 + 0.000000 CH2:1 CH:1 H:1 C2H2:1 - - + + CH + CH3 [=] H + C2H3 - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 CH3:1 CH:1 H:1 C2H3:1 - - + + CH + CH4 [=] H + C2H4 - 6.000000E+10 - 0 - 0.000000 + 6.000000E+10 + 0 + 0.000000 CH:1 CH4:1 H:1 C2H4:1 - - + + CH + CO (+ M) [=] HCCO (+ M) - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 - 2.690000E+22 - -3.7400000000000002 - 1936.000000 + 2.690000E+22 + -3.7400000000000002 + 1936.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.5757 237 1652 5069 CH:1 CO:1 HCCO:1 - - + + CH + CO2 [=] HCO + CO - 1.900000E+11 - 0 - 15792.000000 + 1.900000E+11 + 0 + 15792.000000 CH:1 CO2:1 CO:1 HCO:1 - - + + CH + CH2O [=] H + CH2CO - 9.460000E+10 - 0 - -515.000000 + 9.460000E+10 + 0 + -515.000000 CH2O:1 CH:1 H:1 CH2CO:1 - - + + CH + HCCO [=] CO + C2H2 - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 CH:1 HCCO:1 CO:1 C2H2:1 - - + + CH2 + O2 =] OH + H + CO - 5.000000E+09 - 0 - 1500.000000 + 5.000000E+09 + 0 + 1500.000000 CH2:1 O2:1 H:1 CO:1 OH:1 - - + + CH2 + H2 [=] H + CH3 - 5.000000E+02 - 2 - 7230.000000 + 5.000000E+02 + 2 + 7230.000000 H2:1 CH2:1 H:1 CH3:1 - - + + 2 CH2 [=] H2 + C2H2 - 1.600000E+12 - 0 - 11944.000000 + 1.600000E+12 + 0 + 11944.000000 CH2:2 H2:1 C2H2:1 - - + + CH2 + CH3 [=] H + C2H4 - 4.000000E+10 - 0 - 0.000000 + 4.000000E+10 + 0 + 0.000000 CH2:1 CH3:1 H:1 C2H4:1 - - + + CH2 + CH4 [=] 2 CH3 - 2.460000E+03 - 2 - 8270.000000 + 2.460000E+03 + 2 + 8270.000000 CH2:1 CH4:1 CH3:2 - - + + CH2 + CO (+ M) [=] CH2CO (+ M) - 8.100000E+08 - 0.5 - 4510.000000 + 8.100000E+08 + 0.5 + 4510.000000 - 2.690000E+27 - -5.1100000000000003 - 7095.000000 + 2.690000E+27 + -5.1100000000000003 + 7095.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.5907 275 1226 5185 CH2:1 CO:1 CH2CO:1 - - + + CH2 + HCCO [=] C2H3 + CO - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 CH2:1 HCCO:1 CO:1 C2H3:1 - - + + CH2(S) + N2 [=] CH2 + N2 - 1.500000E+10 - 0 - 600.000000 + 1.500000E+10 + 0 + 600.000000 CH2(S):1 N2:1 CH2:1 N2:1 - - + + CH2(S) + AR [=] CH2 + AR - 9.000000E+09 - 0 - 600.000000 + 9.000000E+09 + 0 + 600.000000 CH2(S):1 AR:1 CH2:1 AR:1 - - + + CH2(S) + O2 [=] H + OH + CO - 2.800000E+10 - 0 - 0.000000 + 2.800000E+10 + 0 + 0.000000 CH2(S):1 O2:1 H:1 CO:1 OH:1 - - + + CH2(S) + O2 [=] CO + H2O - 1.200000E+10 - 0 - 0.000000 + 1.200000E+10 + 0 + 0.000000 CH2(S):1 O2:1 H2O:1 CO:1 - - + + CH2(S) + H2 [=] CH3 + H - 7.000000E+10 - 0 - 0.000000 + 7.000000E+10 + 0 + 0.000000 H2:1 CH2(S):1 H:1 CH3:1 - - + + CH2(S) + H2O (+ M) [=] CH3OH (+ M) - 4.820000E+14 - -1.1599999999999999 - 1145.000000 + 4.820000E+14 + -1.1599999999999999 + 1145.000000 - 1.880000E+32 - -6.3600000000000003 - 5040.000000 + 1.880000E+32 + -6.3600000000000003 + 5040.000000 - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.6027 208 3922 10180 CH2(S):1 H2O:1 CH3OH:1 - - + + CH2(S) + H2O [=] CH2 + H2O - 3.000000E+10 - 0 - 0.000000 + 3.000000E+10 + 0 + 0.000000 CH2(S):1 H2O:1 CH2:1 H2O:1 - - + + CH2(S) + CH3 [=] H + C2H4 - 1.200000E+10 - 0 - -570.000000 + 1.200000E+10 + 0 + -570.000000 CH2(S):1 CH3:1 H:1 C2H4:1 - - + + CH2(S) + CH4 [=] 2 CH3 - 1.600000E+10 - 0 - -570.000000 + 1.600000E+10 + 0 + -570.000000 CH2(S):1 CH4:1 CH3:2 - - + + CH2(S) + CO [=] CH2 + CO - 9.000000E+09 - 0 - 0.000000 + 9.000000E+09 + 0 + 0.000000 CH2(S):1 CO:1 CH2:1 CO:1 - - + + CH2(S) + CO2 [=] CH2 + CO2 - 7.000000E+09 - 0 - 0.000000 + 7.000000E+09 + 0 + 0.000000 CH2(S):1 CO2:1 CH2:1 CO2:1 - - + + CH2(S) + CO2 [=] CO + CH2O - 1.400000E+10 - 0 - 0.000000 + 1.400000E+10 + 0 + 0.000000 CH2(S):1 CO2:1 CH2O:1 CO:1 - - + + CH2(S) + C2H6 [=] CH3 + C2H5 - 4.000000E+10 - 0 - -550.000000 + 4.000000E+10 + 0 + -550.000000 CH2(S):1 C2H6:1 C2H5:1 CH3:1 - - + + CH3 + O2 [=] O + CH3O - 3.560000E+10 - 0 - 30480.000000 + 3.560000E+10 + 0 + 30480.000000 CH3:1 O2:1 CH3O:1 O:1 - - + + CH3 + O2 [=] OH + CH2O - 2.310000E+09 - 0 - 20315.000000 + 2.310000E+09 + 0 + 20315.000000 CH3:1 O2:1 CH2O:1 OH:1 - - + + CH3 + H2O2 [=] HO2 + CH4 - 2.450000E+01 - 2.4700000000000002 - 5180.000000 + 2.450000E+01 + 2.4700000000000002 + 5180.000000 CH3:1 H2O2:1 CH4:1 HO2:1 - - + + 2 CH3 (+ M) [=] C2H6 (+ M) - 6.770000E+13 - -1.1799999999999999 - 654.000000 + 6.770000E+13 + -1.1799999999999999 + 654.000000 - 3.400000E+35 - -7.0300000000000002 - 2762.000000 + 3.400000E+35 + -7.0300000000000002 + 2762.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.619 73.2 1180 9999 CH3:2 C2H6:1 - - + + 2 CH3 [=] H + C2H5 - 6.840000E+09 - 0.10000000000000001 - 10600.000000 + 6.840000E+09 + 0.10000000000000001 + 10600.000000 CH3:2 H:1 C2H5:1 - - + + CH3 + HCO [=] CH4 + CO - 2.648000E+10 - 0 - 0.000000 + 2.648000E+10 + 0 + 0.000000 CH3:1 HCO:1 CO:1 CH4:1 - - + + CH3 + CH2O [=] HCO + CH4 - 3.320000E+00 - 2.8100000000000001 - 5860.000000 + 3.320000E+00 + 2.8100000000000001 + 5860.000000 CH2O:1 CH3:1 CH4:1 HCO:1 - - + + CH3 + CH3OH [=] CH2OH + CH4 - 3.000000E+04 - 1.5 - 9940.000000 + 3.000000E+04 + 1.5 + 9940.000000 CH3OH:1 CH3:1 CH2OH:1 CH4:1 - - + + CH3 + CH3OH [=] CH3O + CH4 - 1.000000E+04 - 1.5 - 9940.000000 + 1.000000E+04 + 1.5 + 9940.000000 CH3OH:1 CH3:1 CH3O:1 CH4:1 - - + + CH3 + C2H4 [=] C2H3 + CH4 - 2.270000E+02 - 2 - 9200.000000 + 2.270000E+02 + 2 + 9200.000000 CH3:1 C2H4:1 CH4:1 C2H3:1 - - + + CH3 + C2H6 [=] C2H5 + CH4 - 6.140000E+03 - 1.74 - 10450.000000 + 6.140000E+03 + 1.74 + 10450.000000 C2H6:1 CH3:1 C2H5:1 CH4:1 - - + + HCO + H2O [=] H + CO + H2O - 1.500000E+15 - -1 - 17000.000000 + 1.500000E+15 + -1 + 17000.000000 H2O:1 HCO:1 H:1 H2O:1 CO:1 - - + + HCO + M [=] H + CO + M - 1.870000E+14 - -1 - 17000.000000 + 1.870000E+14 + -1 + 17000.000000 - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 + C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 HCO:1 H:1 CO:1 - - + + HCO + O2 [=] HO2 + CO - 1.345000E+10 - 0 - 400.000000 + 1.345000E+10 + 0 + 400.000000 HCO:1 O2:1 CO:1 HO2:1 - - + + CH2OH + O2 [=] HO2 + CH2O - 1.800000E+10 - 0 - 900.000000 + 1.800000E+10 + 0 + 900.000000 CH2OH:1 O2:1 CH2O:1 HO2:1 - - + + CH3O + O2 [=] HO2 + CH2O - 4.280000E-16 - 7.5999999999999996 - -3530.000000 + 4.280000E-16 + 7.5999999999999996 + -3530.000000 CH3O:1 O2:1 CH2O:1 HO2:1 - - + + C2H + O2 [=] HCO + CO - 1.000000E+10 - 0 - -755.000000 + 1.000000E+10 + 0 + -755.000000 C2H:1 O2:1 CO:1 HCO:1 - - + + C2H + H2 [=] H + C2H2 - 5.680000E+07 - 0.90000000000000002 - 1993.000000 + 5.680000E+07 + 0.90000000000000002 + 1993.000000 H2:1 C2H:1 H:1 C2H2:1 - - + + C2H3 + O2 [=] HCO + CH2O - 4.580000E+13 - -1.3899999999999999 - 1015.000000 + 4.580000E+13 + -1.3899999999999999 + 1015.000000 C2H3:1 O2:1 CH2O:1 HCO:1 - - + + C2H4 (+ M) [=] H2 + C2H2 (+ M) - 8.000000E+12 - 0.44 - 86770.000000 + 8.000000E+12 + 0.44 + 86770.000000 - 1.580000E+48 - -9.3000000000000007 - 97800.000000 + 1.580000E+48 + -9.3000000000000007 + 97800.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.7345 180 1035 5417 C2H4:1 H2:1 C2H2:1 - - + + C2H5 + O2 [=] HO2 + C2H4 - 8.400000E+08 - 0 - 3875.000000 + 8.400000E+08 + 0 + 3875.000000 C2H5:1 O2:1 C2H4:1 HO2:1 - - + + HCCO + O2 [=] OH + 2 CO - 3.200000E+09 - 0 - 854.000000 + 3.200000E+09 + 0 + 854.000000 HCCO:1 O2:1 CO:2 OH:1 - - + + 2 HCCO [=] 2 CO + C2H2 - 1.000000E+10 - 0 - 0.000000 + 1.000000E+10 + 0 + 0.000000 HCCO:2 CO:2 C2H2:1 - - + + N + NO [=] N2 + O - 2.700000E+10 - 0 - 355.000000 + 2.700000E+10 + 0 + 355.000000 NO:1 N:1 N2:1 O:1 - - + + N + O2 [=] NO + O - 9.000000E+06 - 1 - 6500.000000 + 9.000000E+06 + 1 + 6500.000000 O2:1 N:1 O:1 NO:1 - - + + N + OH [=] NO + H - 3.360000E+10 - 0 - 385.000000 + 3.360000E+10 + 0 + 385.000000 OH:1 N:1 H:1 NO:1 - - + + N2O + O [=] N2 + O2 - 1.400000E+09 - 0 - 10810.000000 + 1.400000E+09 + 0 + 10810.000000 N2O:1 O:1 N2:1 O2:1 - - + + N2O + O [=] 2 NO - 2.900000E+10 - 0 - 23150.000000 + 2.900000E+10 + 0 + 23150.000000 N2O:1 O:1 NO:2 - - + + N2O + H [=] N2 + OH - 3.870000E+11 - 0 - 18880.000000 + 3.870000E+11 + 0 + 18880.000000 H:1 N2O:1 N2:1 OH:1 - - + + N2O + OH [=] N2 + HO2 - 2.000000E+09 - 0 - 21060.000000 + 2.000000E+09 + 0 + 21060.000000 N2O:1 OH:1 N2:1 HO2:1 - - + + N2O (+ M) [=] N2 + O (+ M) - 7.910000E+10 - 0 - 56020.000000 + 7.910000E+10 + 0 + 56020.000000 - 6.370000E+11 - 0 - 56640.000000 + 6.370000E+11 + 0 + 56640.000000 - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 N2O:1 N2:1 O:1 - - + + HO2 + NO [=] NO2 + OH - 2.110000E+09 - 0 - -480.000000 + 2.110000E+09 + 0 + -480.000000 HO2:1 NO:1 NO2:1 OH:1 - - + + NO + O + M [=] NO2 + M - 1.060000E+14 - -1.4099999999999999 - 0.000000 + 1.060000E+14 + -1.4099999999999999 + 0.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 O:1 NO:1 NO2:1 - - + + NO2 + O [=] NO + O2 - 3.900000E+09 - 0 - -240.000000 + 3.900000E+09 + 0 + -240.000000 O:1 NO2:1 O2:1 NO:1 - - + + NO2 + H [=] NO + OH - 1.320000E+11 - 0 - 360.000000 + 1.320000E+11 + 0 + 360.000000 H:1 NO2:1 OH:1 NO:1 - - + + NH + O [=] NO + H - 4.000000E+10 - 0 - 0.000000 + 4.000000E+10 + 0 + 0.000000 NH:1 O:1 H:1 NO:1 - - + + NH + H [=] N + H2 - 3.200000E+10 - 0 - 330.000000 + 3.200000E+10 + 0 + 330.000000 NH:1 H:1 H2:1 N:1 - - + + NH + OH [=] HNO + H - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 NH:1 OH:1 H:1 HNO:1 - - + + NH + OH [=] N + H2O - 2.000000E+06 - 1.2 - 0.000000 + 2.000000E+06 + 1.2 + 0.000000 NH:1 OH:1 H2O:1 N:1 - - + + NH + O2 [=] HNO + O - 4.610000E+02 - 2 - 6500.000000 + 4.610000E+02 + 2 + 6500.000000 NH:1 O2:1 O:1 HNO:1 - - + + NH + O2 [=] NO + OH - 1.280000E+03 - 1.5 - 100.000000 + 1.280000E+03 + 1.5 + 100.000000 NH:1 O2:1 OH:1 NO:1 - - + + NH + N [=] N2 + H - 1.500000E+10 - 0 - 0.000000 + 1.500000E+10 + 0 + 0.000000 NH:1 N:1 H:1 N2:1 - - + + NH + H2O [=] HNO + H2 - 2.000000E+10 - 0 - 13850.000000 + 2.000000E+10 + 0 + 13850.000000 NH:1 H2O:1 H2:1 HNO:1 - - + + NH + NO [=] N2 + OH - 2.160000E+10 - -0.23000000000000001 - 0.000000 + 2.160000E+10 + -0.23000000000000001 + 0.000000 NH:1 NO:1 N2:1 OH:1 - - + + NH + NO [=] N2O + H - 3.650000E+11 - -0.45000000000000001 - 0.000000 + 3.650000E+11 + -0.45000000000000001 + 0.000000 NH:1 NO:1 H:1 N2O:1 - - + + NH2 + O [=] OH + NH - 3.000000E+09 - 0 - 0.000000 + 3.000000E+09 + 0 + 0.000000 O:1 NH2:1 NH:1 OH:1 - - + + NH2 + O [=] H + HNO - 3.900000E+10 - 0 - 0.000000 + 3.900000E+10 + 0 + 0.000000 O:1 NH2:1 H:1 HNO:1 - - + + NH2 + H [=] NH + H2 - 4.000000E+10 - 0 - 3650.000000 + 4.000000E+10 + 0 + 3650.000000 H:1 NH2:1 NH:1 H2:1 - - + + NH2 + OH [=] NH + H2O - 9.000000E+04 - 1.5 - -460.000000 + 9.000000E+04 + 1.5 + -460.000000 OH:1 NH2:1 NH:1 H2O:1 - - + + NNH [=] N2 + H - 3.300000E+08 - 0 - 0.000000 + 3.300000E+08 + 0 + 0.000000 NNH:1 H:1 N2:1 - - + + NNH + M [=] N2 + H + M - 1.300000E+11 - -0.11 - 4980.000000 + 1.300000E+11 + -0.11 + 4980.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 NNH:1 H:1 N2:1 - - + + NNH + O2 [=] HO2 + N2 - 5.000000E+09 - 0 - 0.000000 + 5.000000E+09 + 0 + 0.000000 O2:1 NNH:1 N2:1 HO2:1 - - + + NNH + O [=] OH + N2 - 2.500000E+10 - 0 - 0.000000 + 2.500000E+10 + 0 + 0.000000 O:1 NNH:1 N2:1 OH:1 - - + + NNH + O [=] NH + NO - 7.000000E+10 - 0 - 0.000000 + 7.000000E+10 + 0 + 0.000000 O:1 NNH:1 NH:1 NO:1 - - + + NNH + H [=] H2 + N2 - 5.000000E+10 - 0 - 0.000000 + 5.000000E+10 + 0 + 0.000000 H:1 NNH:1 H2:1 N2:1 - - + + NNH + OH [=] H2O + N2 - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 OH:1 NNH:1 H2O:1 N2:1 - - + + NNH + CH3 [=] CH4 + N2 - 2.500000E+10 - 0 - 0.000000 + 2.500000E+10 + 0 + 0.000000 CH3:1 NNH:1 N2:1 CH4:1 - - + + H + NO + M [=] HNO + M - 4.480000E+13 - -1.3200000000000001 - 740.000000 + 4.480000E+13 + -1.3200000000000001 + 740.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H:1 NO:1 HNO:1 - - + + HNO + O [=] NO + OH - 2.500000E+10 - 0 - 0.000000 + 2.500000E+10 + 0 + 0.000000 O:1 HNO:1 OH:1 NO:1 - - + + HNO + H [=] H2 + NO - 9.000000E+08 - 0.71999999999999997 - 660.000000 + 9.000000E+08 + 0.71999999999999997 + 660.000000 H:1 HNO:1 H2:1 NO:1 - - + + HNO + OH [=] NO + H2O - 1.300000E+04 - 1.8999999999999999 - -950.000000 + 1.300000E+04 + 1.8999999999999999 + -950.000000 HNO:1 OH:1 H2O:1 NO:1 - - + + HNO + O2 [=] HO2 + NO - 1.000000E+10 - 0 - 13000.000000 + 1.000000E+10 + 0 + 13000.000000 O2:1 HNO:1 HO2:1 NO:1 - - + + CN + O [=] CO + N - 7.700000E+10 - 0 - 0.000000 + 7.700000E+10 + 0 + 0.000000 CN:1 O:1 CO:1 N:1 - - + + CN + OH [=] NCO + H - 4.000000E+10 - 0 - 0.000000 + 4.000000E+10 + 0 + 0.000000 CN:1 OH:1 H:1 NCO:1 - - + + CN + H2O [=] HCN + OH - 8.000000E+09 - 0 - 7460.000000 + 8.000000E+09 + 0 + 7460.000000 H2O:1 CN:1 HCN:1 OH:1 - - + + CN + O2 [=] NCO + O - 6.140000E+09 - 0 - -440.000000 + 6.140000E+09 + 0 + -440.000000 CN:1 O2:1 O:1 NCO:1 - - + + CN + H2 [=] HCN + H - 2.950000E+02 - 2.4500000000000002 - 2240.000000 + 2.950000E+02 + 2.4500000000000002 + 2240.000000 H2:1 CN:1 H:1 HCN:1 - - + + NCO + O [=] NO + CO - 2.350000E+10 - 0 - 0.000000 + 2.350000E+10 + 0 + 0.000000 O:1 NCO:1 CO:1 NO:1 - - + + NCO + H [=] NH + CO - 5.400000E+10 - 0 - 0.000000 + 5.400000E+10 + 0 + 0.000000 H:1 NCO:1 NH:1 CO:1 - - + + NCO + OH [=] NO + H + CO - 2.500000E+09 - 0 - 0.000000 + 2.500000E+09 + 0 + 0.000000 OH:1 NCO:1 H:1 CO:1 NO:1 - - + + NCO + N [=] N2 + CO - 2.000000E+10 - 0 - 0.000000 + 2.000000E+10 + 0 + 0.000000 N:1 NCO:1 N2:1 CO:1 - - + + NCO + O2 [=] NO + CO2 - 2.000000E+09 - 0 - 20000.000000 + 2.000000E+09 + 0 + 20000.000000 O2:1 NCO:1 CO2:1 NO:1 - - + + NCO + M [=] N + CO + M - 3.100000E+11 - 0 - 54050.000000 + 3.100000E+11 + 0 + 54050.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 NCO:1 CO:1 N:1 - - + + NCO + NO [=] N2O + CO - 1.900000E+14 - -1.52 - 740.000000 + 1.900000E+14 + -1.52 + 740.000000 NO:1 NCO:1 CO:1 N2O:1 - - + + NCO + NO [=] N2 + CO2 - 3.800000E+15 - -2 - 800.000000 + 3.800000E+15 + -2 + 800.000000 NO:1 NCO:1 N2:1 CO2:1 - - + + HCN + M [=] H + CN + M - 1.040000E+26 - -3.2999999999999998 - 126600.000000 + 1.040000E+26 + -3.2999999999999998 + 126600.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 HCN:1 H:1 CN:1 - - + + HCN + O [=] NCO + H - 2.030000E+01 - 2.6400000000000001 - 4980.000000 + 2.030000E+01 + 2.6400000000000001 + 4980.000000 HCN:1 O:1 H:1 NCO:1 - - + + HCN + O [=] NH + CO - 5.070000E+00 - 2.6400000000000001 - 4980.000000 + 5.070000E+00 + 2.6400000000000001 + 4980.000000 HCN:1 O:1 NH:1 CO:1 - - + + HCN + O [=] CN + OH - 3.910000E+06 - 1.5800000000000001 - 26600.000000 + 3.910000E+06 + 1.5800000000000001 + 26600.000000 HCN:1 O:1 CN:1 OH:1 - - + + HCN + OH [=] HOCN + H - 1.100000E+03 - 2.0299999999999998 - 13370.000000 + 1.100000E+03 + 2.0299999999999998 + 13370.000000 HCN:1 OH:1 HOCN:1 H:1 - - + + HCN + OH [=] HNCO + H - 4.400000E+00 - 2.2599999999999998 - 6400.000000 + 4.400000E+00 + 2.2599999999999998 + 6400.000000 HCN:1 OH:1 HNCO:1 H:1 - - + + HCN + OH [=] NH2 + CO - 1.600000E-01 - 2.5600000000000001 - 9000.000000 + 1.600000E-01 + 2.5600000000000001 + 9000.000000 HCN:1 OH:1 CO:1 NH2:1 - - + + H + HCN (+ M) [=] H2CN (+ M) - 3.300000E+10 - 0 - 0.000000 + 3.300000E+10 + 0 + 0.000000 - 1.400000E+20 - -3.3999999999999999 - 1900.000000 + 1.400000E+20 + -3.3999999999999999 + 1900.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H:1 HCN:1 H2CN:1 - - + + H2CN + N [=] N2 + CH2 - 6.000000E+10 - 0 - 400.000000 + 6.000000E+10 + 0 + 400.000000 H2CN:1 N:1 N2:1 CH2:1 - - + + C + N2 [=] CN + N - 6.300000E+10 - 0 - 46020.000000 + 6.300000E+10 + 0 + 46020.000000 C:1 N2:1 CN:1 N:1 - - + + CH + N2 [=] HCN + N - 3.120000E+06 - 0.88 - 20130.000000 + 3.120000E+06 + 0.88 + 20130.000000 N2:1 CH:1 HCN:1 N:1 - - + + CH + N2 (+ M) [=] HCNN (+ M) - 3.100000E+09 - 0.14999999999999999 - 0.000000 + 3.100000E+09 + 0.14999999999999999 + 0.000000 - 1.300000E+19 - -3.1600000000000001 - 740.000000 + 1.300000E+19 + -3.1600000000000001 + 740.000000 - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.667 235 2117 4536 N2:1 CH:1 HCNN:1 - - + + CH2 + N2 [=] HCN + NH - 1.000000E+10 - 0 - 74000.000000 + 1.000000E+10 + 0 + 74000.000000 CH2:1 N2:1 NH:1 HCN:1 - - + + CH2(S) + N2 [=] NH + HCN - 1.000000E+08 - 0 - 65000.000000 + 1.000000E+08 + 0 + 65000.000000 CH2(S):1 N2:1 NH:1 HCN:1 - - + + C + NO [=] CN + O - 1.900000E+10 - 0 - 0.000000 + 1.900000E+10 + 0 + 0.000000 C:1 NO:1 CN:1 O:1 - - + + C + NO [=] CO + N - 2.900000E+10 - 0 - 0.000000 + 2.900000E+10 + 0 + 0.000000 C:1 NO:1 CO:1 N:1 - - + + CH + NO [=] HCN + O - 4.100000E+10 - 0 - 0.000000 + 4.100000E+10 + 0 + 0.000000 CH:1 NO:1 HCN:1 O:1 - - + + CH + NO [=] H + NCO - 1.620000E+10 - 0 - 0.000000 + 1.620000E+10 + 0 + 0.000000 CH:1 NO:1 H:1 NCO:1 - - + + CH + NO [=] N + HCO - 2.460000E+10 - 0 - 0.000000 + 2.460000E+10 + 0 + 0.000000 CH:1 NO:1 HCO:1 N:1 - - + + CH2 + NO [=] H + HNCO - 3.100000E+14 - -1.3799999999999999 - 1270.000000 + 3.100000E+14 + -1.3799999999999999 + 1270.000000 CH2:1 NO:1 HNCO:1 H:1 - - + + CH2 + NO [=] OH + HCN - 2.900000E+11 - -0.68999999999999995 - 760.000000 + 2.900000E+11 + -0.68999999999999995 + 760.000000 CH2:1 NO:1 HCN:1 OH:1 - - + + CH2 + NO [=] H + HCNO - 3.800000E+10 - -0.35999999999999999 - 580.000000 + 3.800000E+10 + -0.35999999999999999 + 580.000000 CH2:1 NO:1 H:1 HCNO:1 - - + + CH2(S) + NO [=] H + HNCO - 3.100000E+14 - -1.3799999999999999 - 1270.000000 + 3.100000E+14 + -1.3799999999999999 + 1270.000000 CH2(S):1 NO:1 HNCO:1 H:1 - - + + CH2(S) + NO [=] OH + HCN - 2.900000E+11 - -0.68999999999999995 - 760.000000 + 2.900000E+11 + -0.68999999999999995 + 760.000000 CH2(S):1 NO:1 HCN:1 OH:1 - - + + CH2(S) + NO [=] H + HCNO - 3.800000E+10 - -0.35999999999999999 - 580.000000 + 3.800000E+10 + -0.35999999999999999 + 580.000000 CH2(S):1 NO:1 H:1 HCNO:1 - - + + CH3 + NO [=] HCN + H2O - 9.600000E+10 - 0 - 28800.000000 + 9.600000E+10 + 0 + 28800.000000 CH3:1 NO:1 H2O:1 HCN:1 - - + + CH3 + NO [=] H2CN + OH - 1.000000E+09 - 0 - 21750.000000 + 1.000000E+09 + 0 + 21750.000000 CH3:1 NO:1 H2CN:1 OH:1 - - + + HCNN + O [=] CO + H + N2 - 2.200000E+10 - 0 - 0.000000 + 2.200000E+10 + 0 + 0.000000 O:1 HCNN:1 H:1 N2:1 CO:1 - - + + HCNN + O [=] HCN + NO - 2.000000E+09 - 0 - 0.000000 + 2.000000E+09 + 0 + 0.000000 O:1 HCNN:1 HCN:1 NO:1 - - + + HCNN + O2 [=] O + HCO + N2 - 1.200000E+10 - 0 - 0.000000 + 1.200000E+10 + 0 + 0.000000 O2:1 HCNN:1 N2:1 HCO:1 O:1 - - + + HCNN + OH [=] H + HCO + N2 - 1.200000E+10 - 0 - 0.000000 + 1.200000E+10 + 0 + 0.000000 OH:1 HCNN:1 H:1 N2:1 HCO:1 - - + + HCNN + H [=] CH2 + N2 - 1.000000E+11 - 0 - 0.000000 + 1.000000E+11 + 0 + 0.000000 H:1 HCNN:1 CH2:1 N2:1 - - + + HNCO + O [=] NH + CO2 - 9.800000E+04 - 1.4099999999999999 - 8500.000000 + 9.800000E+04 + 1.4099999999999999 + 8500.000000 HNCO:1 O:1 NH:1 CO2:1 - - + + HNCO + O [=] HNO + CO - 1.500000E+05 - 1.5700000000000001 - 44000.000000 + 1.500000E+05 + 1.5700000000000001 + 44000.000000 HNCO:1 O:1 CO:1 HNO:1 - - + + HNCO + O [=] NCO + OH - 2.200000E+03 - 2.1099999999999999 - 11400.000000 + 2.200000E+03 + 2.1099999999999999 + 11400.000000 HNCO:1 O:1 OH:1 NCO:1 - - + + HNCO + H [=] NH2 + CO - 2.250000E+04 - 1.7 - 3800.000000 + 2.250000E+04 + 1.7 + 3800.000000 HNCO:1 H:1 CO:1 NH2:1 - - + + HNCO + H [=] H2 + NCO - 1.050000E+02 - 2.5 - 13300.000000 + 1.050000E+02 + 2.5 + 13300.000000 HNCO:1 H:1 H2:1 NCO:1 - - + + HNCO + OH [=] NCO + H2O - 3.300000E+04 - 1.5 - 3600.000000 + 3.300000E+04 + 1.5 + 3600.000000 HNCO:1 OH:1 H2O:1 NCO:1 - - + + HNCO + OH [=] NH2 + CO2 - 3.300000E+03 - 1.5 - 3600.000000 + 3.300000E+03 + 1.5 + 3600.000000 HNCO:1 OH:1 CO2:1 NH2:1 - - + + HNCO + M [=] NH + CO + M - 1.180000E+13 - 0 - 84720.000000 + 1.180000E+13 + 0 + 84720.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 HNCO:1 NH:1 CO:1 - - + + HCNO + H [=] H + HNCO - 2.100000E+12 - -0.68999999999999995 - 2850.000000 + 2.100000E+12 + -0.68999999999999995 + 2850.000000 H:1 HCNO:1 HNCO:1 H:1 - - + + HCNO + H [=] OH + HCN - 2.700000E+08 - 0.17999999999999999 - 2120.000000 + 2.700000E+08 + 0.17999999999999999 + 2120.000000 H:1 HCNO:1 HCN:1 OH:1 - - + + HCNO + H [=] NH2 + CO - 1.700000E+11 - -0.75 - 2890.000000 + 1.700000E+11 + -0.75 + 2890.000000 H:1 HCNO:1 CO:1 NH2:1 - - + + HOCN + H [=] H + HNCO - 2.000000E+04 - 2 - 2000.000000 + 2.000000E+04 + 2 + 2000.000000 HOCN:1 H:1 HNCO:1 H:1 - - + + HCCO + NO [=] HCNO + CO - 9.000000E+09 - 0 - 0.000000 + 9.000000E+09 + 0 + 0.000000 HCCO:1 NO:1 CO:1 HCNO:1 - - + + CH3 + N [=] H2CN + H - 6.100000E+11 - -0.31 - 290.000000 + 6.100000E+11 + -0.31 + 290.000000 CH3:1 N:1 H:1 H2CN:1 - - + + CH3 + N [=] HCN + H2 - 3.700000E+09 - 0.14999999999999999 - -90.000000 + 3.700000E+09 + 0.14999999999999999 + -90.000000 CH3:1 N:1 H2:1 HCN:1 - - + + NH3 + H [=] NH2 + H2 - 5.400000E+02 - 2.3999999999999999 - 9915.000000 + 5.400000E+02 + 2.3999999999999999 + 9915.000000 H:1 NH3:1 H2:1 NH2:1 - - + + NH3 + OH [=] NH2 + H2O - 5.000000E+04 - 1.6000000000000001 - 955.000000 + 5.000000E+04 + 1.6000000000000001 + 955.000000 NH3:1 OH:1 H2O:1 NH2:1 - - + + NH3 + O [=] NH2 + OH - 9.400000E+03 - 1.9399999999999999 - 6460.000000 + 9.400000E+03 + 1.9399999999999999 + 6460.000000 O:1 NH3:1 OH:1 NH2:1 - - + + NH + CO2 [=] HNO + CO - 1.000000E+10 - 0 - 14350.000000 + 1.000000E+10 + 0 + 14350.000000 NH:1 CO2:1 CO:1 HNO:1 - - + + CN + NO2 [=] NCO + NO - 6.160000E+12 - -0.752 - 345.000000 + 6.160000E+12 + -0.752 + 345.000000 CN:1 NO2:1 NO:1 NCO:1 - - + + NCO + NO2 [=] N2O + CO2 - 3.250000E+09 - 0 - -705.000000 + 3.250000E+09 + 0 + -705.000000 NO2:1 NCO:1 CO2:1 N2O:1 - - + + N + CO2 [=] NO + CO - 3.000000E+09 - 0 - 11300.000000 + 3.000000E+09 + 0 + 11300.000000 CO2:1 N:1 CO:1 NO:1 - - + + O + CH3 =] H + H2 + CO - 3.370000E+10 - 0 - 0.000000 + 3.370000E+10 + 0 + 0.000000 CH3:1 O:1 H2:1 H:1 CO:1 - - + + O + C2H4 [=] H + CH2CHO - 6.700000E+03 - 1.8300000000000001 - 220.000000 + 6.700000E+03 + 1.8300000000000001 + 220.000000 C2H4:1 O:1 H:1 CH2CHO:1 - - + + O + C2H5 [=] H + CH3CHO - 1.096000E+11 - 0 - 0.000000 + 1.096000E+11 + 0 + 0.000000 C2H5:1 O:1 H:1 CH3CHO:1 - - + + OH + HO2 [=] O2 + H2O - 5.000000E+12 - 0 - 17330.000000 + 5.000000E+12 + 0 + 17330.000000 HO2:1 OH:1 H2O:1 O2:1 - - + + OH + CH3 =] H2 + CH2O - 8.000000E+06 - 0.5 - -1755.000000 + 8.000000E+06 + 0.5 + -1755.000000 CH3:1 OH:1 H2:1 CH2O:1 - - + + CH + H2 (+ M) [=] CH3 (+ M) - 1.970000E+09 - 0.42999999999999999 - -370.000000 + 1.970000E+09 + 0.42999999999999999 + -370.000000 - 4.820000E+19 - -2.7999999999999998 - 590.000000 + 4.820000E+19 + -2.7999999999999998 + 590.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.578 122 2535 9365 H2:1 CH:1 CH3:1 - - + + CH2 + O2 =] 2 H + CO2 - 5.800000E+09 - 0 - 1500.000000 + 5.800000E+09 + 0 + 1500.000000 CH2:1 O2:1 H:2 CO2:1 - - + + CH2 + O2 [=] O + CH2O - 2.400000E+09 - 0 - 1500.000000 + 2.400000E+09 + 0 + 1500.000000 CH2:1 O2:1 CH2O:1 O:1 - - + + CH2 + CH2 =] 2 H + C2H2 - 2.000000E+11 - 0 - 10989.000000 + 2.000000E+11 + 0 + 10989.000000 CH2:2 H:2 C2H2:1 - - + + CH2(S) + H2O =] H2 + CH2O - 6.820000E+07 - 0.25 - -935.000000 + 6.820000E+07 + 0.25 + -935.000000 CH2(S):1 H2O:1 H2:1 CH2O:1 - - + + C2H3 + O2 [=] O + CH2CHO - 3.030000E+08 - 0.28999999999999998 - 11.000000 + 3.030000E+08 + 0.28999999999999998 + 11.000000 C2H3:1 O2:1 CH2CHO:1 O:1 - - + + C2H3 + O2 [=] HO2 + C2H2 - 1.337000E+03 - 1.6100000000000001 - -384.000000 + 1.337000E+03 + 1.6100000000000001 + -384.000000 C2H3:1 O2:1 HO2:1 C2H2:1 - - + + O + CH3CHO [=] OH + CH2CHO - 5.840000E+09 - 0 - 1808.000000 + 5.840000E+09 + 0 + 1808.000000 CH3CHO:1 O:1 CH2CHO:1 OH:1 - - + + O + CH3CHO =] OH + CH3 + CO - 5.840000E+09 - 0 - 1808.000000 + 5.840000E+09 + 0 + 1808.000000 CH3CHO:1 O:1 CH3:1 CO:1 OH:1 - - + + O2 + CH3CHO =] HO2 + CH3 + CO - 3.010000E+10 - 0 - 39150.000000 + 3.010000E+10 + 0 + 39150.000000 CH3CHO:1 O2:1 CO:1 CH3:1 HO2:1 - - + + H + CH3CHO [=] CH2CHO + H2 - 2.050000E+06 - 1.1599999999999999 - 2405.000000 + 2.050000E+06 + 1.1599999999999999 + 2405.000000 H:1 CH3CHO:1 H2:1 CH2CHO:1 - - + + H + CH3CHO =] CH3 + H2 + CO - 2.050000E+06 - 1.1599999999999999 - 2405.000000 + 2.050000E+06 + 1.1599999999999999 + 2405.000000 H:1 CH3CHO:1 H2:1 CH3:1 CO:1 - - + + OH + CH3CHO =] CH3 + H2O + CO - 2.343000E+07 - 0.72999999999999998 - -1113.000000 + 2.343000E+07 + 0.72999999999999998 + -1113.000000 CH3CHO:1 OH:1 H2O:1 CH3:1 CO:1 - - + + HO2 + CH3CHO =] CH3 + H2O2 + CO - 3.010000E+09 - 0 - 11923.000000 + 3.010000E+09 + 0 + 11923.000000 CH3CHO:1 HO2:1 CH3:1 CO:1 H2O2:1 - - + + CH3 + CH3CHO =] CH3 + CH4 + CO - 2.720000E+03 - 1.77 - 5920.000000 + 2.720000E+03 + 1.77 + 5920.000000 CH3CHO:1 CH3:1 CO:1 CH3:1 CH4:1 - - + + H + CH2CO (+ M) [=] CH2CHO (+ M) - 4.865000E+08 - 0.42199999999999999 - -1755.000000 + 4.865000E+08 + 0.42199999999999999 + -1755.000000 - 1.012000E+36 - -7.6299999999999999 - 3854.000000 + 1.012000E+36 + -7.6299999999999999 + 3854.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.465 201 1773 5333 H:1 CH2CO:1 CH2CHO:1 - - + + O + CH2CHO =] H + CH2 + CO2 - 1.500000E+11 - 0 - 0.000000 + 1.500000E+11 + 0 + 0.000000 CH2CHO:1 O:1 H:1 CH2:1 CO2:1 - - + + O2 + CH2CHO =] OH + CO + CH2O - 1.810000E+07 - 0 - 0.000000 + 1.810000E+07 + 0 + 0.000000 CH2CHO:1 O2:1 CH2O:1 CO:1 OH:1 - - + + O2 + CH2CHO =] OH + 2 HCO - 2.350000E+07 - 0 - 0.000000 + 2.350000E+07 + 0 + 0.000000 CH2CHO:1 O2:1 HCO:2 OH:1 - - + + H + CH2CHO [=] CH3 + HCO - 2.200000E+10 - 0 - 0.000000 + 2.200000E+10 + 0 + 0.000000 H:1 CH2CHO:1 CH3:1 HCO:1 - - + + H + CH2CHO [=] CH2CO + H2 - 1.100000E+10 - 0 - 0.000000 + 1.100000E+10 + 0 + 0.000000 H:1 CH2CHO:1 H2:1 CH2CO:1 - - + + OH + CH2CHO [=] H2O + CH2CO - 1.200000E+10 - 0 - 0.000000 + 1.200000E+10 + 0 + 0.000000 CH2CHO:1 OH:1 H2O:1 CH2CO:1 - - + + OH + CH2CHO [=] HCO + CH2OH - 3.010000E+10 - 0 - 0.000000 + 3.010000E+10 + 0 + 0.000000 CH2CHO:1 OH:1 CH2OH:1 HCO:1 - - + + CH3 + C2H5 (+ M) [=] C3H8 (+ M) - 9.430000E+09 - 0 - 0.000000 + 9.430000E+09 + 0 + 0.000000 - 2.710000E+68 - -16.82 - 13065.000000 + 2.710000E+68 + -16.82 + 13065.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.1527 291 2742 7748 C2H5:1 CH3:1 C3H8:1 - - + + O + C3H8 [=] OH + C3H7 - 1.930000E+02 - 2.6800000000000002 - 3716.000000 + 1.930000E+02 + 2.6800000000000002 + 3716.000000 C3H8:1 O:1 C3H7:1 OH:1 - - + + H + C3H8 [=] C3H7 + H2 - 1.320000E+03 - 2.54 - 6756.000000 + 1.320000E+03 + 2.54 + 6756.000000 H:1 C3H8:1 H2:1 C3H7:1 - - + + OH + C3H8 [=] C3H7 + H2O - 3.160000E+04 - 1.8 - 934.000000 + 3.160000E+04 + 1.8 + 934.000000 C3H8:1 OH:1 C3H7:1 H2O:1 - - + + C3H7 + H2O2 [=] HO2 + C3H8 - 3.780000E-01 - 2.7200000000000002 - 1500.000000 + 3.780000E-01 + 2.7200000000000002 + 1500.000000 C3H7:1 H2O2:1 HO2:1 C3H8:1 - - + + CH3 + C3H8 [=] C3H7 + CH4 - 9.030000E-04 - 3.6499999999999999 - 7154.000000 + 9.030000E-04 + 3.6499999999999999 + 7154.000000 CH3:1 C3H8:1 C3H7:1 CH4:1 - - + + CH3 + C2H4 (+ M) [=] C3H7 (+ M) - 2.550000E+03 - 1.6000000000000001 - 5700.000000 + 2.550000E+03 + 1.6000000000000001 + 5700.000000 - 3.000000E+57 - -14.6 - 18170.000000 + 3.000000E+57 + -14.6 + 18170.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.1894 277 8748 7891 CH3:1 C2H4:1 C3H7:1 - - + + O + C3H7 [=] C2H5 + CH2O - 9.640000E+10 - 0 - 0.000000 + 9.640000E+10 + 0 + 0.000000 C3H7:1 O:1 CH2O:1 C2H5:1 - - + + H + C3H7 (+ M) [=] C3H8 (+ M) - 3.613000E+10 - 0 - 0.000000 + 3.613000E+10 + 0 + 0.000000 - 4.420000E+55 - -13.545 - 11357.000000 + 4.420000E+55 + -13.545 + 11357.000000 - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 0.315 369 3285 6667 H:1 C3H7:1 C3H8:1 - - + + H + C3H7 [=] CH3 + C2H5 - 4.060000E+03 - 2.1899999999999999 - 890.000000 + 4.060000E+03 + 2.1899999999999999 + 890.000000 H:1 C3H7:1 C2H5:1 CH3:1 - - + + OH + C3H7 [=] C2H5 + CH2OH - 2.410000E+10 - 0 - 0.000000 + 2.410000E+10 + 0 + 0.000000 C3H7:1 OH:1 CH2OH:1 C2H5:1 - - + + HO2 + C3H7 [=] O2 + C3H8 - 2.550000E+07 - 0.255 - -943.000000 + 2.550000E+07 + 0.255 + -943.000000 C3H7:1 HO2:1 O2:1 C3H8:1 - - + + HO2 + C3H7 =] OH + C2H5 + CH2O - 2.410000E+10 - 0 - 0.000000 + 2.410000E+10 + 0 + 0.000000 C3H7:1 HO2:1 CH2O:1 C2H5:1 OH:1 - - + + CH3 + C3H7 [=] 2 C2H5 - 1.927000E+10 - -0.32000000000000001 - 0.000000 + 1.927000E+10 + -0.32000000000000001 + 0.000000 C3H7:1 CH3:1 diff --git a/test_problems/cxx_ex/silane.xml b/test_problems/cxx_ex/silane.xml index c355f7516..4e9b32f12 100644 --- a/test_problems/cxx_ex/silane.xml +++ b/test_problems/cxx_ex/silane.xml @@ -1,12 +1,13 @@ + - + - Si H He + Si H He - H2 H HE SIH4 SI SIH SIH2 SIH3 H3SISIH SI2H6 - H2SISIH2 SI3H8 SI2 SI3 + H2 H HE SIH4 SI SIH SIH2 SIH3 H3SISIH SI2H6 + H2SISIH2 SI3H8 SI2 SI3 300.0 @@ -17,495 +18,495 @@ - + - + H:2 TPIS78 - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 + + + 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 + + + 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - + H:1 L 7/88 - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 + + + 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, + -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 + + + 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, + 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - + He:1 120186 - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 9.153488000E-01 + + + 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, 9.153488000E-01 - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 9.153489000E-01 + + + 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, 9.153489000E-01 - + H:4 Si:1 90784 - - - 1.451640400E+00, 1.398736300E-02, -4.234563900E-06, -2.360614200E-09, - 1.371208900E-12, 3.113410500E+03, 1.232185500E+01 + + + 1.451640400E+00, 1.398736300E-02, -4.234563900E-06, -2.360614200E-09, + 1.371208900E-12, 3.113410500E+03, 1.232185500E+01 - - - 7.935938000E-01, 1.767189900E-02, -1.139800900E-05, 3.599260400E-09, - -4.524157100E-13, 3.198212700E+03, 1.524225700E+01 + + + 7.935938000E-01, 1.767189900E-02, -1.139800900E-05, 3.599260400E-09, + -4.524157100E-13, 3.198212700E+03, 1.524225700E+01 - + Si:1 J 3/67 - - - 3.179353700E+00, -2.764699200E-03, 4.478403800E-06, -3.283317700E-09, - 9.121363100E-13, 5.333903200E+04, 2.727320400E+00 + + + 3.179353700E+00, -2.764699200E-03, 4.478403800E-06, -3.283317700E-09, + 9.121363100E-13, 5.333903200E+04, 2.727320400E+00 - - - 2.650601400E+00, -3.576385200E-04, 2.959229300E-07, -7.280482900E-11, - 5.796332900E-15, 5.343705400E+04, 5.220405700E+00 + + + 2.650601400E+00, -3.576385200E-04, 2.959229300E-07, -7.280482900E-11, + 5.796332900E-15, 5.343705400E+04, 5.220405700E+00 - + H:1 Si:1 121986 - - - 3.836010000E+00, -2.702657000E-03, 6.849070000E-06, -5.424184000E-09, - 1.472131000E-12, 4.507593000E+04, 9.350778000E-01 + + + 3.836010000E+00, -2.702657000E-03, 6.849070000E-06, -5.424184000E-09, + 1.472131000E-12, 4.507593000E+04, 9.350778000E-01 - - - 3.110430000E+00, 1.094946000E-03, 2.898629000E-08, -2.745104000E-10, - 7.051799000E-14, 4.516898000E+04, 4.193487000E+00 + + + 3.110430000E+00, 1.094946000E-03, 2.898629000E-08, -2.745104000E-10, + 7.051799000E-14, 4.516898000E+04, 4.193487000E+00 - + H:2 Si:1 42489 - - - 3.475092000E+00, 2.139338000E-03, 7.672306000E-07, 5.217668000E-10, - -9.898824000E-13, 3.147397000E+04, 4.436585000E+00 + + + 3.475092000E+00, 2.139338000E-03, 7.672306000E-07, 5.217668000E-10, + -9.898824000E-13, 3.147397000E+04, 4.436585000E+00 - - - 4.142390000E+00, 2.150191000E-03, -2.190730000E-07, -2.073725000E-10, - 4.741018000E-14, 3.110484000E+04, 2.930745000E-01 + + + 4.142390000E+00, 2.150191000E-03, -2.190730000E-07, -2.073725000E-10, + 4.741018000E-14, 3.110484000E+04, 2.930745000E-01 - + H:3 Si:1 42489 - - - 2.946733000E+00, 6.466764000E-03, 5.991653000E-07, -2.218413000E-09, - 3.052670000E-13, 2.270173000E+04, 7.347948000E+00 + + + 2.946733000E+00, 6.466764000E-03, 5.991653000E-07, -2.218413000E-09, + 3.052670000E-13, 2.270173000E+04, 7.347948000E+00 - - - 5.015906000E+00, 3.732750000E-03, -3.609053000E-07, -3.729193000E-10, - 8.468490000E-14, 2.190233000E+04, -4.291368000E+00 + + + 5.015906000E+00, 3.732750000E-03, -3.609053000E-07, -3.729193000E-10, + 8.468490000E-14, 2.190233000E+04, -4.291368000E+00 - + H:4 Si:2 111191 - - - 3.698707000E+00, 1.870180000E-02, -1.430704000E-05, 6.005836000E-09, - -1.116293000E-12, 3.590825000E+04, 8.825191000E+00 + + + 3.698707000E+00, 1.870180000E-02, -1.430704000E-05, 6.005836000E-09, + -1.116293000E-12, 3.590825000E+04, 8.825191000E+00 - - - 1.127202000E+01, 2.538145000E-03, -2.998472000E-07, -9.465367000E-11, - 1.855053000E-14, 3.297169000E+04, -3.264598000E+01 + + + 1.127202000E+01, 2.538145000E-03, -2.998472000E-07, -9.465367000E-11, + 1.855053000E-14, 3.297169000E+04, -3.264598000E+01 - + H:6 Si:2 90784 - - - 6.734798300E-01, 4.093153100E-02, -4.484125500E-05, 2.995223200E-08, - -8.901085400E-12, 7.932787500E+03, 1.862740300E+01 + + + 6.734798300E-01, 4.093153100E-02, -4.484125500E-05, 2.995223200E-08, + -8.901085400E-12, 7.932787500E+03, 1.862740300E+01 - - - 3.407493600E+00, 2.720647900E-02, -1.771320400E-05, 5.639117700E-09, - -7.137868200E-13, 7.532184200E+03, 6.132175400E+00 + + + 3.407493600E+00, 2.720647900E-02, -1.771320400E-05, 5.639117700E-09, + -7.137868200E-13, 7.532184200E+03, 6.132175400E+00 - + H:4 Si:2 42489 - - - 5.133186000E+00, 1.252855000E-02, -4.620421000E-07, -6.606075000E-09, - 2.864345000E-12, 2.956915000E+04, 7.605133000E-01 + + + 5.133186000E+00, 1.252855000E-02, -4.620421000E-07, -6.606075000E-09, + 2.864345000E-12, 2.956915000E+04, 7.605133000E-01 - - - 8.986817000E+00, 5.405047000E-03, -5.214022000E-07, -5.313742000E-10, - 1.188727000E-13, 2.832748000E+04, -2.004478000E+01 + + + 8.986817000E+00, 5.405047000E-03, -5.214022000E-07, -5.313742000E-10, + 1.188727000E-13, 2.832748000E+04, -2.004478000E+01 - + H:8 Si:3 90784 - - - 7.719684600E-01, 6.344274000E-02, -7.672610900E-05, 5.454371500E-08, - -1.661172900E-11, 1.207126300E+04, 2.153250700E+01 + + + 7.719684600E-01, 6.344274000E-02, -7.672610900E-05, 5.454371500E-08, + -1.661172900E-11, 1.207126300E+04, 2.153250700E+01 - - - 6.093334100E+00, 3.658011200E-02, -2.389236100E-05, 7.627193200E-09, - -9.676938400E-13, 1.129720500E+04, -2.747565400E+00 + + + 6.093334100E+00, 3.658011200E-02, -2.389236100E-05, 7.627193200E-09, + -9.676938400E-13, 1.129720500E+04, -2.747565400E+00 - + Si:2 90784 - - - 2.967197600E+00, 6.311955800E-03, -1.097079000E-05, 8.927868000E-09, - -2.787368900E-12, 6.987073800E+04, 9.278950300E+00 + + + 2.967197600E+00, 6.311955800E-03, -1.097079000E-05, 8.927868000E-09, + -2.787368900E-12, 6.987073800E+04, 9.278950300E+00 - - - 4.144677900E+00, 6.523467700E-04, -5.010852000E-07, 1.806284300E-10, - -2.516111100E-14, 6.969470700E+04, 3.862736600E+00 + + + 4.144677900E+00, 6.523467700E-04, -5.010852000E-07, 1.806284300E-10, + -2.516111100E-14, 6.969470700E+04, 3.862736600E+00 - + Si:3 J 3/67 - - - 4.597912900E+00, 1.071527400E-02, -1.610042200E-05, 1.096920700E-08, - -2.783287500E-12, 7.476632400E+04, 3.442167100E+00 + + + 4.597912900E+00, 1.071527400E-02, -1.610042200E-05, 1.096920700E-08, + -2.783287500E-12, 7.476632400E+04, 3.442167100E+00 - - - 7.421336000E+00, -1.170994800E-04, 8.982077500E-08, 7.193596400E-12, - -2.567083700E-15, 7.414669900E+04, -1.036527400E+01 + + + 7.421336000E+00, -1.170994800E-04, 8.982077500E-08, 7.193596400E-12, + -2.567083700E-15, 7.414669900E+04, -1.036527400E+01 - - + + SIH4 + H [=] SIH3 + H2 - 7.800000E+11 - 0 - 2260.000000 + 7.800000E+11 + 0 + 2260.000000 SIH4:1 H:1 H2:1 SIH3:1 - - + + SIH4 + M [=] SIH3 + H + M - 3.910000E+12 - 0 - 89356.000000 + 3.910000E+12 + 0 + 89356.000000 SIH4:1 H:1 SIH3:1 - - + + SIH3 + H [=] SIH2 + H2 - 7.800000E+11 - 0 - 2260.000000 + 7.800000E+11 + 0 + 2260.000000 H:1 SIH3:1 H2:1 SIH2:1 - - + + SI + SI + M [=] SI2 + M - 2.470000E+10 - 0 - 1178.000000 + 2.470000E+10 + 0 + 1178.000000 SI:2 SI2:1 - - + + SIH4 + SIH2 [=] H3SISIH + H2 - 1.300000E+10 - 0 - 0.000000 + 1.300000E+10 + 0 + 0.000000 SIH4:1 SIH2:1 H2:1 H3SISIH:1 - - + + SIH + H2 [=] SIH2 + H - 4.800000E+11 - 0 - 23.640000 + 4.800000E+11 + 0 + 23.640000 H2:1 SIH:1 H:1 SIH2:1 - - + + SIH + SIH4 [=] H3SISIH + H - 1.600000E+11 - 0 - 0.000000 + 1.600000E+11 + 0 + 0.000000 SIH4:1 SIH:1 H:1 H3SISIH:1 - - + + SI + H2 [=] SIH + H - 1.500000E+12 - 0 - 31.800000 + 1.500000E+12 + 0 + 31.800000 H2:1 SI:1 H:1 SIH:1 - - + + SIH4 (+ M) [=] SIH2 + H2 (+ M) - 3.119000E+09 - 1.669 - 54710.000000 + 3.119000E+09 + 1.669 + 54710.000000 - 5.214000E+26 - -3.5449999999999999 - 57550.000000 + 5.214000E+26 + -3.5449999999999999 + 57550.000000 - SI2H6:4 SIH4:4 + SI2H6:4 SIH4:4 -0.4984 888.3 209.4 2760 SIH4:1 H2:1 SIH2:1 - - + + H3SISIH (+ M) [=] H2SISIH2 (+ M) - 2.540000E+13 - -0.22389999999999999 - 5381.000000 + 2.540000E+13 + -0.22389999999999999 + 5381.000000 - 1.099000E+30 - -5.7649999999999997 - 9152.000000 + 1.099000E+30 + -5.7649999999999997 + 9152.000000 - SI2H6:4 SIH4:4 + SI2H6:4 SIH4:4 -0.4202 214.5 103 136.3 H3SISIH:1 H2SISIH2:1 - - + + SI3H8 (+ M) [=] SIH4 + H3SISIH (+ M) - 3.730000E+12 - 0.99199999999999999 - 50850.000000 + 3.730000E+12 + 0.99199999999999999 + 50850.000000 - 4.360000E+73 - -17.260000000000002 - 59303.000000 + 4.360000E+73 + -17.260000000000002 + 59303.000000 - SI2H6:4 SIH4:4 + SI2H6:4 SIH4:4 0.4157 365.3 3102 9.724 SI3H8:1 SIH4:1 H3SISIH:1 - - + + SI3H8 (+ M) [=] SIH2 + SI2H6 (+ M) - 6.970000E+12 - 0.96909999999999996 - 52677.000000 + 6.970000E+12 + 0.96909999999999996 + 52677.000000 - 1.730000E+66 - -15.07 - 60491.000000 + 1.730000E+66 + -15.07 + 60491.000000 - SI2H6:4 SIH4:4 + SI2H6:4 SIH4:4 -3.47e-05 442 2412 128.3 SI3H8:1 SI2H6:1 SIH2:1 - - + + SI2H6 (+ M) [=] H2 + H3SISIH (+ M) - 9.086000E+09 - 1.8340000000000001 - 54197.000000 + 9.086000E+09 + 1.8340000000000001 + 54197.000000 - 1.945000E+41 - -7.7720000000000002 - 59023.000000 + 1.945000E+41 + -7.7720000000000002 + 59023.000000 - SI2H6:4 SIH4:4 + SI2H6:4 SIH4:4 -0.1224 793.3 2400 11.39 SI2H6:1 H2:1 H3SISIH:1 - - + + SI2H6 (+ M) [=] SIH4 + SIH2 (+ M) - 1.810000E+10 - 1.7470000000000001 - 50203.000000 + 1.810000E+10 + 1.7470000000000001 + 50203.000000 - 5.090000E+50 - -10.369999999999999 - 56034.000000 + 5.090000E+50 + -10.369999999999999 + 56034.000000 - SI2H6:4 SIH4:4 + SI2H6:4 SIH4:4 4.375e-05 438.5 2726 438.2 SI2H6:1