From 8bc8697865c52ee0ab4a77962163b4b9a8739674 Mon Sep 17 00:00:00 2001 From: Dave Goodwin Date: Sat, 13 Dec 2003 14:35:25 +0000 Subject: [PATCH] cleanup --- Cantera/clib/src/ct.cpp | 16 +- Cantera/matlab/cantera/@Solution/set.m | 174 +++++++++++--------- Cantera/matlab/setup_matlab.py | 15 +- Cantera/matlab/setup_matlab.py.in | 2 +- Cantera/python/setup.py.in | 48 +++--- Cantera/src/BandMatrix.cpp | 4 +- Cantera/src/Makefile.in | 20 ++- Cantera/src/SurfPhase.h | 6 +- Cantera/src/importCTML.cpp | 11 +- Cantera/src/importCTML.h | 2 - Cantera/src/utilities.h | 30 ++-- INSTALLING | 6 +- Makefile.in | 10 +- config/configure | 26 ++- config/configure.in | 14 ++ data/inputs/Makefile.in | 8 +- data/inputs/gri30.xml | 212 ++++++++++++------------- ext/tpx/Hydrogen.cpp | 2 +- ext/tpx/Oxygen.cpp | 2 +- tools/bin/finish_install.py | 2 +- 20 files changed, 333 insertions(+), 277 deletions(-) diff --git a/Cantera/clib/src/ct.cpp b/Cantera/clib/src/ct.cpp index 8a84abfaf..ff579b706 100755 --- a/Cantera/clib/src/ct.cpp +++ b/Cantera/clib/src/ct.cpp @@ -496,36 +496,36 @@ extern "C" { //-------------- pure fluids ---------------// double DLL_EXPORT th_critTemperature(int n) { - return th(n)->critTemperature(); + return purefluid(n)->critTemperature(); } double DLL_EXPORT th_critPressure(int n) { - return th(n)->critPressure(); + return purefluid(n)->critPressure(); } double DLL_EXPORT th_critDensity(int n) { - return th(n)->critDensity(); + return purefluid(n)->critDensity(); } double DLL_EXPORT th_vaporFraction(int n) { - return th(n)->vaporFraction(); + return purefluid(n)->vaporFraction(); } double DLL_EXPORT th_satTemperature(int n, double p) { - return th(n)->satTemperature(p); + return purefluid(n)->satTemperature(p); } double DLL_EXPORT th_satPressure(int n, double t) { - return th(n)->satPressure(t); + return purefluid(n)->satPressure(t); } int DLL_EXPORT th_setState_satLiquid(int n) { - th(n)->setState_satLiquid(); + purefluid(n)->setState_satLiquid(); return 0; } int DLL_EXPORT th_setState_satVapor(int n) { - th(n)->setState_satVapor(); + purefluid(n)->setState_satVapor(); return 0; } diff --git a/Cantera/matlab/cantera/@Solution/set.m b/Cantera/matlab/cantera/@Solution/set.m index 76664d12e..4eb0d133b 100755 --- a/Cantera/matlab/cantera/@Solution/set.m +++ b/Cantera/matlab/cantera/@Solution/set.m @@ -34,92 +34,116 @@ function a = set(a,varargin) % property_argin = varargin; +tval = -999; pval = -999; hval = -999; uval = -999; sval = -999; vval = -999; np = 0; +nt = 0; +nv = 0; +nx = 0; +ny = 0; +ns = 0; +nh = 0; +nu = 0; + while length(property_argin) >= 2, - prop = property_argin{1}; - val = property_argin{2}; - property_argin = property_argin(3:end); - switch prop - case 'Temperature' - setTemperature(a,val); - case 'T' - setTemperature(a,val); - case 'Density' - setDensity(a,val); - vval = 1.0/val; - case 'Rho' - setDensity(a,val); - vval = 1.0/val; - case 'V' - setDensity(a,1.0/val); - vval = val; - case 'MoleFractions' - setMoleFractions(a,val); - case 'X' - setMoleFractions(a,val); - case 'MassFractions' - setMassFractions(a,val); - case 'Y' - setMassFractions(a,val); - case 'Pressure' - pval = val; - np = np + 1; - case 'P' - pval = val; - np = np + 1; - case 'Enthalpy' - hval = val; - np = np + 1; - case 'H' - hval = val; - np = np + 1; - case 'IntEnergy' - uval = val; - np = np + 1; - case 'U' - uval = val; - np = np + 1; - case 'Entropy' - sval = val; - np = np + 1; - case 'S' - sval = val; - np = np + 1; - otherwise - error(['unknown property ' char(prop)]) - end + prop = property_argin{1}; + val = property_argin{2}; + property_argin = property_argin(3:end); + switch prop + case 'Temperature' + nt = nt + 1; + tval = val; + case 'T' + nt = nt + 1; + tval = val; + case 'Density' + nv = nv + 1; + vval = 1.0/val; + case 'Rho' + nv = nv + 1; + vval = 1.0/val; + case 'V' + nv = nv + 1; + vval = val; + case 'MoleFractions' + nx = nx + 1; + setMoleFractions(a,val); + case 'X' + nx = nx + 1; + setMoleFractions(a,val); + case 'MassFractions' + ny = ny + 1; + setMassFractions(a,val); + case 'Y' + ny = ny + 1; + setMassFractions(a,val); + case 'Pressure' + pval = val; + np = np + 1; + case 'P' + pval = val; + np = np + 1; + case 'Enthalpy' + hval = val; + nh = nh + 1; + case 'H' + hval = val; + nh = nh + 1; + case 'IntEnergy' + uval = val; + nu = nu + 1; + case 'U' + uval = val; + nu = nu + 1; + case 'Entropy' + sval = val; + ns = ns + 1; + case 'S' + sval = val; + ns = ns + 1; + otherwise + error(['unknown property ' char(prop)]) + end end -if np == 1 - if notnull(pval) - setPressure(a,pval); - end +if nx + ny > 1 + error('composition specified multiple times'); end -if (np >= 2) - if notnull(pval) & notnull(hval) - setState_HP(a,[hval,pval]); - elseif notnull(uval) & notnull(vval) - setState_UV(a,[uval,vval]); - elseif notnull(sval) & notnull(pval) - setState_SP(a,[sval,pval]); - elseif notnull(sval) & notnull(vval) - setState_SV(a,[sval,vval]); - else - error('unimplemented property pair'); - end -end +ntot = nt + np + nv + ns + nh + nu; - -function b = notnull(v) -if v == -999 - b = 0; +if ntot == 1 + % + % set T, v, or P individually + % + if nt == 1 + setTemperature(a,tval); % density held fixed + elseif nv == 1 + setDensity(a,1.0/vval); % temperature held fixed + elseif np == 1 + setPressure(1, pval); % temperature held fixed + else + error('pressure, volume, or density must also be specified'); + end +elseif ntot == 2 + % + % set property pairs + % + if np == 1 & nh == 1 + setState_HP(a,[hval,pval]); + elseif nu == 1 & nv == 1 + setState_UV(a,[uval,vval]); + elseif ns == 1 & np == 1 + setState_SP(a,[sval,pval]); + elseif ns == 1 & nv == 1 + setState_SV(a,[sval,vval]); + else + error('unimplemented property pair'); + end else - b = 1; + error('too many properties specified'); end - diff --git a/Cantera/matlab/setup_matlab.py b/Cantera/matlab/setup_matlab.py index 52cc72793..ba9116c3d 100644 --- a/Cantera/matlab/setup_matlab.py +++ b/Cantera/matlab/setup_matlab.py @@ -1,14 +1,11 @@ import sys -if len(sys.argv) >= 4: - bindir = sys.argv[1] - libdir = sys.argv[2] - libs = '-l'+sys.argv[3]+' '+sys.argv[4] -else: - print 'usage: python setup_matlab.py ' - sys.exit(0) - +bindir = '/usr/local/bin' +libdir = '/Users/dgg/dv/sf/cantera/build/lib/powerpc-apple-darwin7.0.0' +incdir = '/Users/dgg/dv/sf/cantera/build/include' +libs = ' -loneD -lzeroD -ltransport -lcantera -lrecipes -lcvode -lctlapack -lctmath -lctblas -ltpx -lg2c -lgcc' + f = open('setup.m','w') f.write('cd cantera\nbuildux\nexit\n') f.close() @@ -22,7 +19,7 @@ mex private/ctmethods.cpp private/ctfunctions.cpp ... private/transportmethods.cpp private/reactormethods.cpp ... private/wallmethods.cpp private/flowdevicemethods.cpp ... private/onedimmethods.cpp private/surfmethods.cpp private/write.cpp ... -"""+' -L'+libdir+' '+libs+'\n'+"""disp('done.'); +"""+'-I'+incdir+' -L'+libdir+' '+libs+'\n'+"""disp('done.'); """) fb.close() diff --git a/Cantera/matlab/setup_matlab.py.in b/Cantera/matlab/setup_matlab.py.in index 931c5080a..7999b433f 100644 --- a/Cantera/matlab/setup_matlab.py.in +++ b/Cantera/matlab/setup_matlab.py.in @@ -3,7 +3,7 @@ import sys bindir = '@ct_bindir@' libdir = '@buildlib@' -incdir = '@ct_incroot@' +incdir = '@buildinc@' libs = '@LOCAL_LIBS@ @LIBS@ @FLIBS@' f = open('setup.m','w') diff --git a/Cantera/python/setup.py.in b/Cantera/python/setup.py.in index adfa66dc7..9362da18e 100644 --- a/Cantera/python/setup.py.in +++ b/Cantera/python/setup.py.in @@ -1,4 +1,3 @@ -#!/usr/bin/python2 import sys try: from distutils.core import setup, Extension @@ -17,33 +16,24 @@ else: "ctblas", "ctmath", "cvode", "tpx", "stdc++", "g2c", "m"] -#if sys.argv[1] == 'install': -# import time -# f = open('_pydate.py','w') -# f.write('date = '+`time.time()`) -# f.close() +setup(name="Cantera", + version="@ctversion@", + description="The Cantera Python Interface", + long_description=""" + """, + author="Prof. D. G. Goodwin, Caltech", + author_email="dgoodwin@caltech.edu", + url="http://www.cantera.org", + package_dir = {'MixMaster':'../../apps/MixMaster'}, + packages = ["","Cantera","Cantera.OneD", + "MixMaster","MixMaster.Units"], + ext_modules=[ + Extension("Cantera._cantera", + ["src/pycantera.cpp", "src/writelog.cpp"], + include_dirs=["../../build/include", + "src", "../clib/src"], + library_dirs = ["@buildlib@"], libraries = libs) + ], + ) -#try: - setup(name="Cantera", - version="1.5", - description="The Cantera Python Interface", - long_description=""" - """, - author="Prof. D. G. Goodwin, Caltech", - author_email="dgoodwin@caltech.edu", - url="http://www.cantera.org", - package_dir = {'MixMaster':'../../apps/MixMaster'}, - packages = ["","Cantera","Cantera.OneD", - "MixMaster","MixMaster.Units"], - ext_modules=[ - Extension("Cantera._cantera", - ["src/pycantera.cpp", "src/writelog.cpp"], - include_dirs=["../../build/include", - "src", "../clib/src"], - library_dirs = ["@buildlib@"], libraries = libs) - ], - ) -#except: -# print '***************************************' -# print ' Error: setup.py failed' diff --git a/Cantera/src/BandMatrix.cpp b/Cantera/src/BandMatrix.cpp index 64fbc7a01..b4a05798e 100755 --- a/Cantera/src/BandMatrix.cpp +++ b/Cantera/src/BandMatrix.cpp @@ -12,8 +12,8 @@ #endif -#include -#include +//#include +//#include using namespace std; #include "BandMatrix.h" diff --git a/Cantera/src/Makefile.in b/Cantera/src/Makefile.in index c96d771c6..64b70e9cd 100755 --- a/Cantera/src/Makefile.in +++ b/Cantera/src/Makefile.in @@ -55,11 +55,29 @@ EVERYTHING = $(KINETICS) $(HETEROKIN) $(ELECTROCHEM) $(EQUIL) $(CK) \ $(TRANSPORT) $(REACTOR) $(RPATH) $(SOLVERS) $(FLOW1D) -all: config.h @KERNEL@ lib +PCH = ct_defs.h.gch utilities.h.gch ThermoPhase.h.gch + +all: config.h $(PCH) @KERNEL@ lib config.h: ../../config.h cp -f ../../config.h ./config.h + +ct_defs.h.gch: ct_defs.h +ifeq (@precompile_headers@,yes) + @CXX@ ct_defs.h $(CXX_FLAGS) +endif + +utilities.h.gch: utilities.h +ifeq (@precompile_headers@,yes) + @CXX@ utilities.h $(CXX_FLAGS) +endif + +%.h.gch: +ifeq (@precompile_headers@,yes) + @CXX@ $*.h $(CXX_FLAGS) +endif + base: $(BASE) thermo: $(THERMO) diff --git a/Cantera/src/SurfPhase.h b/Cantera/src/SurfPhase.h index 5820cf8f2..7e7e006c5 100644 --- a/Cantera/src/SurfPhase.h +++ b/Cantera/src/SurfPhase.h @@ -16,11 +16,11 @@ #ifndef CT_SURFPHASE_H #define CT_SURFPHASE_H -#include "ct_defs.h" +//#include "ct_defs.h" #include "mix_defs.h" #include "ThermoPhase.h" -#include "ctvector.h" -#include +//#include "ctvector.h" +//#include namespace Cantera { diff --git a/Cantera/src/importCTML.cpp b/Cantera/src/importCTML.cpp index 28eedf18d..0e2fbed86 100755 --- a/Cantera/src/importCTML.cpp +++ b/Cantera/src/importCTML.cpp @@ -24,12 +24,6 @@ #include "mix_defs.h" #include -// STL includes -#include -#include -#include -using namespace std; - // Cantera includes #include "speciesThermoTypes.h" #include "ThermoPhase.h" @@ -44,9 +38,10 @@ using namespace std; #include "xml.h" #include "ctml.h" + using namespace ctml; -#include +//#include // these are all used to check for duplicate reactions vector< map > _reactiondata; @@ -62,7 +57,7 @@ namespace Cantera { * be used throught this file */ typedef const vector nodeset_t; - typedef XML_Node node_t; + typedef XML_Node node_t; const doublereal DefaultPref = 1.01325e5; // one atm diff --git a/Cantera/src/importCTML.h b/Cantera/src/importCTML.h index 7589f5078..a6aed6630 100755 --- a/Cantera/src/importCTML.h +++ b/Cantera/src/importCTML.h @@ -17,8 +17,6 @@ using namespace std; #include "ThermoPhase.h" -//#include "Kinetics.h" -//#include "transport/TransportBase.h" namespace Cantera { diff --git a/Cantera/src/utilities.h b/Cantera/src/utilities.h index 42dd6a099..b36042105 100755 --- a/Cantera/src/utilities.h +++ b/Cantera/src/utilities.h @@ -241,22 +241,22 @@ namespace Cantera { * _scatter_update(x.begin(), x.end(), output.begin(), index.begin()); * \endcode */ - template - inline void _scatter_update(_InputIter __begin, _InputIter __end, - _OutputIter __result, _IndexIter __index, const _Params& __params) { - for (; __begin != __end; ++__begin, ++__index) { - *(__result + *__index) = (*__begin).update(__params); - } - } +// template +// inline void _scatter_update(_InputIter __begin, _InputIter __end, +// _OutputIter __result, _IndexIter __index, const _Params& __params) { +// for (; __begin != __end; ++__begin, ++__index) { +// *(__result + *__index) = (*__begin).update(__params); +// } +// } - template - inline void _update(_InputIter __begin, _InputIter __end, - _OutputIter __result, const _Params& __params) { - for (; __begin != __end; ++__begin, ++__result) { - *__result = (*__begin).update(__params); - } - } +// template +// inline void _update(_InputIter __begin, _InputIter __end, +// _OutputIter __result, const _Params& __params) { +// for (; __begin != __end; ++__begin, ++__result) { +// *__result = (*__begin).update(__params); +// } +// } } diff --git a/INSTALLING b/INSTALLING index dce17fe2b..eb87a5497 100644 --- a/INSTALLING +++ b/INSTALLING @@ -24,7 +24,7 @@ preface 'make install' by 'sudo' ('sudo make install'). Cantera applications will be put in /usr/local/bin, libraries will be installed in a version-specific subdirectory of /usr/local/lib/cantera, unix man pages will be installed under -/usr/local/man, C++ header files will be installed in +/usr/share/man, C++ header files will be installed in /usr/local/include/cantera, and various demos and data files will be installed in subdirectories of /usr/local/cantera. @@ -42,8 +42,8 @@ the installation directory. For example, to install in your home directory: make make install -In this case, subdirectories bin, lib, include, cantera will be -created within your home directory if they don't exist already, and +In this case, subdirectories bin, lib, include, man, and cantera will +be created within your home directory if they don't exist already, and cantera will be installed into these directories. diff --git a/Makefile.in b/Makefile.in index 7f2c47b74..b11406746 100755 --- a/Makefile.in +++ b/Makefile.in @@ -18,11 +18,11 @@ incl_user_code = @INCL_USER_CODE@ prefix=@prefix@ -all: kernel user cxxlib hdr-collect clib python matlab utils +all: kernel user cxxlib hdr-collect clib python matlab utils datafiles # use this target on a Windows machine to build the Python and # MATLAB interfaces after building the project in Visual C++ -win: python matlab +win: python matlab install: hdr-install kernel-install data-install python-install matlab-install tools-install finish-install @@ -70,6 +70,7 @@ win-kernel-install: data-install: @INSTALL@ -d @ct_datadir@ @INSTALL@ -m 644 data/inputs/elements.xml @ct_datadir@ + @INSTALL@ -m 644 data/inputs/gri30.xml @ct_datadir@ @INSTALL@ -m 644 data/inputs/*.cti @ct_datadir@ tools-install: @@ -179,10 +180,13 @@ finish-install: example_codes: (cd examples/cxx; @MAKE@) -test: example_codes +test: example_codes datafiles cd test_problems; @MAKE@ all cd test_problems; @MAKE@ test +datafiles: + cd data/inputs; @MAKE@ + uninstall: rm -r -f @ct_incdir@ rm -r -f @ct_libdir@ diff --git a/config/configure b/config/configure index 86c8552d6..b36f2f065 100755 --- a/config/configure +++ b/config/configure @@ -271,7 +271,7 @@ 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 local_inst 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 username ctroot build build_cpu build_vendor build_os host host_cpu host_vendor host_os target target_cpu target_vendor target_os buildlib MAKE ARCHIVE 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 CT_SHARED_LIB BUILD_F90 PYTHON_CMD BUILD_PYTHON MATLAB_CMD BUILD_MATLAB BUILD_CLIB export_name CXX CXXFLAGS LDFLAGS CPPFLAGS ac_ct_CXX EXEEXT OBJEXT CC CFLAGS ac_ct_CC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA CXX_DEPENDS F77 FFLAGS ac_ct_F77 FLIBS OS_IS_DARWIN OS_IS_WIN SHARED_CTLIB mex_ext F77_EXT CXX_EXT OBJ_EXT EXE_EXT local_math_libs math_libs SO LDSHARED LIBOBJS LTLIBOBJS' +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 local_inst 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 username ctroot build build_cpu build_vendor build_os host host_cpu host_vendor host_os target target_cpu target_vendor target_os buildinc buildlib MAKE ARCHIVE 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 CT_SHARED_LIB BUILD_F90 PYTHON_CMD BUILD_PYTHON MATLAB_CMD BUILD_MATLAB BUILD_CLIB export_name CXX CXXFLAGS LDFLAGS CPPFLAGS ac_ct_CXX EXEEXT OBJEXT CC CFLAGS ac_ct_CC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA precompile_headers CXX_DEPENDS F77 FFLAGS ac_ct_F77 FLIBS OS_IS_DARWIN OS_IS_WIN 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. @@ -1446,6 +1446,9 @@ test -n "$target_alias" && NONENONEs,x,x, && program_prefix=${target_alias}- +buildinc=$ctroot/build/include + + buildlib=$ctroot/build/lib/$target @@ -3045,6 +3048,19 @@ test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL}' test -z "$INSTALL_DATA" && INSTALL_DATA='${INSTALL} -m 644' +echo "$as_me:$LINENO: checking for ability to precompile headers" >&5 +echo $ECHO_N "checking for ability to precompile headers... $ECHO_C" >&6 +precompile_headers=no +if test -n "$GCC"; then + msg=`rm -f *h.gch; $CXX testpch.h &> /dev/null` + if test -f testpch.h.gch; then + precompile_headers=yes + fi +fi +echo "$as_me:$LINENO: result: ${precompile_headers}" >&5 +echo "${ECHO_T}${precompile_headers}" >&6 + + #--------------------------------- @@ -3143,7 +3159,7 @@ fi # Provide some information about the compiler. -echo "$as_me:3146:" \ +echo "$as_me:3162:" \ "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 @@ -3320,7 +3336,7 @@ _ACEOF # flags. ac_save_FFLAGS=$FFLAGS FFLAGS="$FFLAGS $ac_verb" -(eval echo $as_me:3323: \"$ac_link\") >&5 +(eval echo $as_me:3339: \"$ac_link\") >&5 ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f77_v_output" >&5 FFLAGS=$ac_save_FFLAGS @@ -3400,7 +3416,7 @@ _ACEOF # flags. ac_save_FFLAGS=$FFLAGS FFLAGS="$FFLAGS $ac_cv_prog_f77_v" -(eval echo $as_me:3403: \"$ac_link\") >&5 +(eval echo $as_me:3419: \"$ac_link\") >&5 ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f77_v_output" >&5 FFLAGS=$ac_save_FFLAGS @@ -4292,6 +4308,7 @@ s,@target@,$target,;t t s,@target_cpu@,$target_cpu,;t t s,@target_vendor@,$target_vendor,;t t s,@target_os@,$target_os,;t t +s,@buildinc@,$buildinc,;t t s,@buildlib@,$buildlib,;t t s,@MAKE@,$MAKE,;t t s,@ARCHIVE@,$ARCHIVE,;t t @@ -4331,6 +4348,7 @@ s,@ac_ct_CC@,$ac_ct_CC,;t t s,@INSTALL_PROGRAM@,$INSTALL_PROGRAM,;t t s,@INSTALL_SCRIPT@,$INSTALL_SCRIPT,;t t s,@INSTALL_DATA@,$INSTALL_DATA,;t t +s,@precompile_headers@,$precompile_headers,;t t s,@CXX_DEPENDS@,$CXX_DEPENDS,;t t s,@F77@,$F77,;t t s,@FFLAGS@,$FFLAGS,;t t diff --git a/config/configure.in b/config/configure.in index 4c403a6d7..900282073 100755 --- a/config/configure.in +++ b/config/configure.in @@ -121,6 +121,9 @@ AC_SUBST(ctroot) AC_CANONICAL_SYSTEM() +buildinc=$ctroot/build/include +AC_SUBST(buildinc) + buildlib=$ctroot/build/lib/$target AC_SUBST(buildlib) @@ -364,6 +367,17 @@ AC_PROG_CXX() AC_PROG_CC() AC_PROG_INSTALL +AC_MSG_CHECKING(for ability to precompile headers) +precompile_headers=no +if test -n "$GCC"; then + msg=`rm -f *h.gch; $CXX testpch.h &> /dev/null` + if test -f testpch.h.gch; then + precompile_headers=yes + fi +fi +AC_MSG_RESULT(${precompile_headers}) +AC_SUBST(precompile_headers) + AC_SUBST(CXX_DEPENDS) #--------------------------------- diff --git a/data/inputs/Makefile.in b/data/inputs/Makefile.in index 44549eb9c..bc9c94de3 100755 --- a/data/inputs/Makefile.in +++ b/data/inputs/Makefile.in @@ -6,10 +6,8 @@ SUFFIXES= .inp .log .dat # list all mechanism files here MECHS = +all: gri30.xml -#LOGS = $(MECHS:.inp=.log) +gri30.xml: gri30.cti + ../../bin/cti2ctml gri30.cti -#all: $(LOGS) - -#gri30.log: gri30.inp -# @CANTERA_BINDIR@/ck2ctml $< diff --git a/data/inputs/gri30.xml b/data/inputs/gri30.xml index 46ae9321c..1f2df2f71 100755 --- a/data/inputs/gri30.xml +++ b/data/inputs/gri30.xml @@ -72,12 +72,12 @@ 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01, + -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, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 @@ -98,12 +98,12 @@ 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01, + -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, + 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 @@ -124,12 +124,12 @@ 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00, + 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, + 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 @@ -150,12 +150,12 @@ 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00, + 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, + -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 @@ -176,12 +176,12 @@ 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01, + 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, + 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 @@ -202,12 +202,12 @@ 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01, + 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, + 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 @@ -228,12 +228,12 @@ 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00, + 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, + -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 @@ -254,12 +254,12 @@ 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00, + 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, + -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 @@ -280,12 +280,12 @@ 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00, + 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, + -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 @@ -306,12 +306,12 @@ 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00, + -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, + 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 @@ -332,12 +332,12 @@ 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00, + 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, + -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 @@ -358,12 +358,12 @@ 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01, + 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, + -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 @@ -384,12 +384,12 @@ 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00, + 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, + -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 @@ -410,12 +410,12 @@ 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00, + 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, + -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 @@ -436,12 +436,12 @@ 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00, + -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, + -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 @@ -462,12 +462,12 @@ 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00, + -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, + -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 @@ -488,12 +488,12 @@ 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00, + 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, + -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 @@ -514,12 +514,12 @@ 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01, + 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, + -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 @@ -540,12 +540,12 @@ 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00, + 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, + -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 @@ -566,12 +566,12 @@ 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01, + 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, + -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 @@ -592,12 +592,12 @@ 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00, + 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, + -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 @@ -618,12 +618,12 @@ 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00, + -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, + -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 @@ -644,12 +644,12 @@ 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01, + -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, + -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 @@ -670,12 +670,12 @@ 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00, + 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, + -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 @@ -696,12 +696,12 @@ 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00, + 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, + -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 @@ -722,12 +722,12 @@ 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00, + 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, + -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 @@ -748,12 +748,12 @@ 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00, + 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, + -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 @@ -774,12 +774,12 @@ 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01, + -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, + -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 @@ -800,12 +800,12 @@ 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01, + -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, + -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 @@ -826,12 +826,12 @@ 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01, + -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, + -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 @@ -852,12 +852,12 @@ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+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, + -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 @@ -878,12 +878,12 @@ 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00, + -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, + -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 @@ -904,12 +904,12 @@ 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01, + 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, + -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 @@ -930,12 +930,12 @@ 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01, + 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, + -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 @@ -956,12 +956,12 @@ 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00, + 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, + -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 @@ -982,12 +982,12 @@ 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00, + 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, + -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 @@ -1008,12 +1008,12 @@ 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00, + 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, + -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 @@ -1034,12 +1034,12 @@ 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01, + -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, + -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 @@ -1060,12 +1060,12 @@ 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00, + 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, + -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 @@ -1086,12 +1086,12 @@ 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00, + -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, + 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 @@ -1112,12 +1112,12 @@ 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00, + -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, + -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 @@ -1138,12 +1138,12 @@ 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00, + -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, + 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 @@ -1164,12 +1164,12 @@ 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01, + -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, + -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 @@ -1190,12 +1190,12 @@ 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01, + -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, + -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 @@ -1216,12 +1216,12 @@ 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00, + 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, + -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 @@ -1242,12 +1242,12 @@ 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00, + 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, + -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 @@ -1268,12 +1268,12 @@ 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00, + -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, + -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 @@ -1294,12 +1294,12 @@ 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00, + -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, + -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 @@ -1320,12 +1320,12 @@ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+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, + 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 @@ -1346,12 +1346,12 @@ 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01, + 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, + -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 @@ -1372,12 +1372,12 @@ 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01, + 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, + -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 @@ -1398,12 +1398,12 @@ 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00, + 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, + -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 @@ -1424,12 +1424,12 @@ 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00, + 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, + -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 diff --git a/ext/tpx/Hydrogen.cpp b/ext/tpx/Hydrogen.cpp index 693acec86..6b27576dc 100755 --- a/ext/tpx/Hydrogen.cpp +++ b/ext/tpx/Hydrogen.cpp @@ -214,7 +214,7 @@ double hydrogen::sp() { double hydrogen::Pp(){ double rt = 1.0/T; double rt2 = rt*rt; - double rt3 = rt*rt2; + // double rt3 = rt*rt2; double egrho = exp(-Gamma*Rho*Rho); double P = Rho*R*T; diff --git a/ext/tpx/Oxygen.cpp b/ext/tpx/Oxygen.cpp index 3e6744470..807202df5 100755 --- a/ext/tpx/Oxygen.cpp +++ b/ext/tpx/Oxygen.cpp @@ -168,7 +168,7 @@ double oxygen::sp() { double oxygen::Pp(){ double rt = 1.0/T; double rt2 = rt*rt; - double rt3 = rt*rt2; + //double rt3 = rt*rt2; double egrho = exp(-Gamma*Rho*Rho); double P = Rho*R*T; diff --git a/tools/bin/finish_install.py b/tools/bin/finish_install.py index 08d3fe651..b87bc9a2d 100644 --- a/tools/bin/finish_install.py +++ b/tools/bin/finish_install.py @@ -8,7 +8,7 @@ if icyg == 0: prefix = prefix[10]+':'+prefix[11:] bindir = '/usr/local/bin' -libdir = '/usr/local/lib/cantera-1.5.3' +libdir = '/usr/local/lib/cantera/1.5.3' hdrdir = '/usr/local/include/cantera' demodir = '/usr/local/cantera/1.5.3/demos' datadir = '/usr/local/cantera/1.5.3/data'