isolated Chemkin file support to building ck2cti
This commit is contained in:
Dave Goodwin
parent
9163cfbbd6
commit
e109142249
11 changed files with 143 additions and 54 deletions
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@ -104,13 +104,13 @@ DEPENDS = $(EVERYTHING:.o=.d)
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# these depend on Makefile to insure that they get rebuilt whenever
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# 'configure' has been run since they were last compiled
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misc.o: misc.cpp Makefile
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echo '#define CANTERA_ROOT "@prefix@/cantera"' > ctdir.h
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@CXX@ -c misc.cpp $(CXX_FLAGS)
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#misc.o: misc.cpp Makefile
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# echo '#define CANTERA_ROOT "@prefix@/cantera"' > ctdir.h
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# @CXX@ -c misc.cpp $(CXX_FLAGS)
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ct2ctml.o: ct2ctml.cpp Makefile
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echo '#define PYTHON_EXE "@PYTHON_CMD@"' > pypath.h
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@CXX@ -c ct2ctml.cpp $(CXX_FLAGS)
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#ct2ctml.o: ct2ctml.cpp Makefile
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# echo '#define PYTHON_EXE "@PYTHON_CMD@"' > pypath.h
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# @CXX@ -c ct2ctml.cpp $(CXX_FLAGS)
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.f.o:
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@F77@ -c $< $(F77_FLAGS)
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@ -44,6 +44,9 @@ typedef int ftnlen; // Fortran hidden string length type
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#define LAPACK_NAMES_LOWERCASE
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#define LAPACK_FTN_TRAILING_UNDERSCORE
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//--------- operating system --------------------------------------
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// The configure script defines this if the operatiing system is Mac
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// OS X, This used to add some Mac-specific directories to the default
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// data file search path.
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@ -53,14 +56,17 @@ typedef int ftnlen; // Fortran hidden string length type
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//--------- Fonts for reaction path diagrams ----------------------
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#define RXNPATH_FONT "Helvetica"
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//--------- Cantera --------------
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//--------------------- Python ------------------------------------
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// used to run Python to process .cti files
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#define PYTHON_EXE "/usr/bin/python"
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//--------- CKReader -------------
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//--------------------- Cantera -----------------------------------
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//--------- CtLib ----------------
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// used to find data files
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#define CANTERA_ROOT "/usr/local/cantera"
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@ -22,9 +22,9 @@
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#include "SpeciesThermoFactory.h"
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#include "FalloffFactory.h"
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#ifndef WIN32
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#include "ctdir.h"
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#endif
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//#ifndef WIN32
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//#include "ctdir.h"
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//#endif
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#include <fstream>
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using namespace std;
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47
INSTALLING
47
INSTALLING
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@ -8,34 +8,60 @@ other systems have it too. If yours does not, you can get it at
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www.python.org.
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Build Instructions
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==================
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====================================================================
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Build Instructions
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====================================================================
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To build and install Cantera in /usr/local:
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To build Cantera and install it in /usr/local:
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./configure
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make
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make install
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To do 'make install', you may need to be super-user, or may need to
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preface 'make install' by 'sudo' ('sudo make install').
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To build and install Cantera in a different directory:
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Cantera applications will be put in /usr/local/bin, libraries will be
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installed in a version-specific subdirectory of
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/usr/local/lib/cantera, unix man pages will be installed under
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/usr/local/man, C++ header files will be installed in
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/usr/local/include/cantera, and various demos and data files will be
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installed in subdirectories of /usr/local/cantera.
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To install Cantera in a different directory:
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./configure --prefix=/installation/dir
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make
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make install
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Here '/installation/dir' should be replaced with the absolute path to
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the installation directory.
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the installation directory. For example, to install in your home directory:
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./configure --prefix=$HOME
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make
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make install
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In this case, subdirectories bin, lib, include, cantera will be
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created within your home directory if they don't exist already, and
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cantera will be installed into these directories.
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To do 'make install', you may need to be super-user. On a Mac running
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OS X, type 'sudo make install'
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Configuring the Environment
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---------------------------
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Execute script 'cantera/setup_cantera' to configure the environment for Cantera:
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source /usr/local/cantera/setup_cantera
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The build process will create an initialization script 'cantera.rc'. Type
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source /usr/local/cantera/cantera.rc
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to set the environment for Cantera. Alternatively, copy cantera.rc to your
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home directory as .cantera, and add the line
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source .cantera
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to your login script.
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The Python Interface
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@ -67,6 +93,7 @@ PYTHON_CMD Python interpreter to use with Cantera
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MATLAB_CMD Matlab command (default: 'matlab')
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Additional customization can be done by editing the configure script.
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Additional customization can be done by editing the configure script
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before running it.
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33
License.txt
33
License.txt
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@ -1,10 +1,33 @@
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Copyright (c) 2001-2003, California Institute of Technology
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All rights reserved.
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Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
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- Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
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- Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
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- Neither the name of the California Institute of Technology nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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Redistribution and use in source and binary forms, with or without
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modification, are permitted provided that the following conditions are
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met:
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- Redistributions of source code must retain the above copyright
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notice, this list of conditions and the following disclaimer.
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- Redistributions in binary form must reproduce the above copyright
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notice, this list of conditions and the following disclaimer in the
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documentation and/or other materials provided with the distribution.
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- Neither the name of the California Institute of Technology nor the
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names of its contributors may be used to endorse or promote products
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derived from this software without specific prior written
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permission.
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
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LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
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A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
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OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
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SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
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LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
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DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
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THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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16
config.h
16
config.h
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@ -44,6 +44,9 @@ typedef int ftnlen; // Fortran hidden string length type
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#define LAPACK_NAMES_LOWERCASE
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#define LAPACK_FTN_TRAILING_UNDERSCORE
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//--------- operating system --------------------------------------
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// The configure script defines this if the operatiing system is Mac
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// OS X, This used to add some Mac-specific directories to the default
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// data file search path.
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@ -53,14 +56,17 @@ typedef int ftnlen; // Fortran hidden string length type
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//--------- Fonts for reaction path diagrams ----------------------
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#define RXNPATH_FONT "Helvetica"
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//--------- Cantera --------------
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//--------------------- Python ------------------------------------
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// used to run Python to process .cti files
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#define PYTHON_EXE "/usr/bin/python"
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//--------- CKReader -------------
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//--------------------- Cantera -----------------------------------
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//--------- CtLib ----------------
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// used to find data files
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#define CANTERA_ROOT "/usr/local/cantera"
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16
config.h.in
16
config.h.in
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@ -43,6 +43,9 @@ typedef int ftnlen; // Fortran hidden string length type
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#define LAPACK_NAMES_LOWERCASE
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#define LAPACK_FTN_TRAILING_UNDERSCORE
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//--------- operating system --------------------------------------
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// The configure script defines this if the operatiing system is Mac
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// OS X, This used to add some Mac-specific directories to the default
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// data file search path.
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@ -52,14 +55,17 @@ typedef int ftnlen; // Fortran hidden string length type
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//--------- Fonts for reaction path diagrams ----------------------
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#undef RXNPATH_FONT
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//--------- Cantera --------------
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//--------------------- Python ------------------------------------
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// used to run Python to process .cti files
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#undef PYTHON_EXE
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//--------- CKReader -------------
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//--------------------- Cantera -----------------------------------
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//--------- CtLib ----------------
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// used to find data files
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#undef CANTERA_ROOT
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21
config/configure
vendored
21
config/configure
vendored
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@ -1303,7 +1303,7 @@ homedir=${HOME}
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if test -z $local_inst; then
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ct_libdir=${prefix}/lib/cantera-${ctversion}
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ct_libdir=${prefix}/lib/cantera/${ctversion}
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ct_incdir=${prefix}/include/cantera
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ct_incroot=${prefix}/include
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ct_bindir=${prefix}/bin
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@ -1315,7 +1315,7 @@ ct_docdir=${prefix}/cantera/${ctversion}/doc
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ct_dir=${prefix}/cantera/${ctversion}
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ct_mandir=${prefix}/share/man
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else
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ct_libdir=${prefix}/lib/cantera-${ctversion}
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ct_libdir=${prefix}/lib/cantera/${ctversion}
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ct_incdir=${prefix}/include/cantera
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ct_incroot=${prefix}/include
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ct_bindir=${prefix}/bin
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@ -1460,6 +1460,10 @@ cat >>confdefs.h <<_ACEOF
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#define RXNPATH_FONT "$RPFONT"
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_ACEOF
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cat >>confdefs.h <<_ACEOF
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#define CANTERA_ROOT "$prefix/cantera"
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_ACEOF
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if test -z "$MAKE"; then MAKE='make'; fi
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@ -1512,7 +1516,8 @@ if test "$ENABLE_THERMO" = "y"; then KERNEL=$KERNEL' 'thermo; fi
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if test "$ENABLE_KINETICS" = "y"; then KERNEL=$KERNEL' 'kinetics; fi
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if test "$ENABLE_CK" = "y"
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then KERNEL=$KERNEL' 'ck
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then
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#KERNEL=$KERNEL' 'ck
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BUILD_CK=1
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NEED_CKREADER=1
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fi
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@ -1710,6 +1715,10 @@ else
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exit 1
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fi
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cat >>confdefs.h <<_ACEOF
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#define PYTHON_EXE "$PYTHON_CMD"
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_ACEOF
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#
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# Matlab Interface
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@ -3094,7 +3103,7 @@ fi
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# Provide some information about the compiler.
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echo "$as_me:3097:" \
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echo "$as_me:3106:" \
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"checking for Fortran 77 compiler version" >&5
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ac_compiler=`set X $ac_compile; echo $2`
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{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5
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@ -3271,7 +3280,7 @@ _ACEOF
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# flags.
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ac_save_FFLAGS=$FFLAGS
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FFLAGS="$FFLAGS $ac_verb"
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(eval echo $as_me:3274: \"$ac_link\") >&5
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(eval echo $as_me:3283: \"$ac_link\") >&5
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ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
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echo "$ac_f77_v_output" >&5
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FFLAGS=$ac_save_FFLAGS
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@ -3351,7 +3360,7 @@ _ACEOF
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# flags.
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ac_save_FFLAGS=$FFLAGS
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FFLAGS="$FFLAGS $ac_cv_prog_f77_v"
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(eval echo $as_me:3354: \"$ac_link\") >&5
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(eval echo $as_me:3363: \"$ac_link\") >&5
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ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
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echo "$ac_f77_v_output" >&5
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FFLAGS=$ac_save_FFLAGS
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@ -59,7 +59,7 @@ homedir=${HOME}
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AC_SUBST(homedir)
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if test -z $local_inst; then
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ct_libdir=${prefix}/lib/cantera-${ctversion}
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ct_libdir=${prefix}/lib/cantera/${ctversion}
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ct_incdir=${prefix}/include/cantera
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ct_incroot=${prefix}/include
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ct_bindir=${prefix}/bin
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@ -71,7 +71,7 @@ ct_docdir=${prefix}/cantera/${ctversion}/doc
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ct_dir=${prefix}/cantera/${ctversion}
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ct_mandir=${prefix}/share/man
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else
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ct_libdir=${prefix}/lib/cantera-${ctversion}
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ct_libdir=${prefix}/lib/cantera/${ctversion}
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ct_incdir=${prefix}/include/cantera
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ct_incroot=${prefix}/include
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ct_bindir=${prefix}/bin
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@ -129,6 +129,7 @@ AC_DEFINE(DARWIN)
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fi
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AC_DEFINE_UNQUOTED(RXNPATH_FONT,"$RPFONT")
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AC_DEFINE_UNQUOTED(CANTERA_ROOT,"$prefix/cantera")
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if test -z "$MAKE"; then MAKE='make'; fi
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AC_SUBST(MAKE)
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@ -181,7 +182,8 @@ if test "$ENABLE_THERMO" = "y"; then KERNEL=$KERNEL' 'thermo; fi
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if test "$ENABLE_KINETICS" = "y"; then KERNEL=$KERNEL' 'kinetics; fi
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if test "$ENABLE_CK" = "y"
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then KERNEL=$KERNEL' 'ck
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then
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#KERNEL=$KERNEL' 'ck
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BUILD_CK=1
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NEED_CKREADER=1
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fi
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@ -335,6 +337,7 @@ else
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exit 1
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fi
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AC_SUBST(BUILD_PYTHON)
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AC_DEFINE_UNQUOTED(PYTHON_EXE,"$PYTHON_CMD")
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#
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# Matlab Interface
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4
configure
vendored
4
configure
vendored
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@ -94,7 +94,7 @@ USER_SRC_DIR="Cantera/user"
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ENABLE_THERMO='y'
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# enable importing Chemkin input files
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ENABLE_CK='y'
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ENABLE_CK='n'
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# homogeneous and heterogeneous kinetics
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ENABLE_KINETICS='y'
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@ -192,7 +192,7 @@ F77=${F77:=g77}
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F90=${F90:=f90}
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# Fortran compiler flags
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FFLAGS=${FFLAGS:='-O2 -Wall'}
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FFLAGS=${FFLAGS:='-O2'}
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# the additional Fortran flags required for linking, if any
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#LFORT_FLAGS="-lF77 -lFI77"
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@ -9,7 +9,7 @@ LCXX_FLAGS = -L$(LIBDIR) @CXXFLAGS@
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LOCAL_LIBS = -lcantera @math_libs@ @LAPACK_LIBRARY@ @BLAS_LIBRARY@ -lctcxx
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LCXX_END_LIBS = @LCXX_END_LIBS@
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OBJS = ck2cti.o
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#OBJS = ck2cti.o
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DEPENDS = $(OBJS:.o=.d)
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@ -17,18 +17,27 @@ CONVLIB_DEP = @buildlib@/libconverters.a
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CANTERALIB_DEP = @buildlib@/libcantera.a \
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@buildlib@/libctcxx.a
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exes = $(BINDIR)/cti2ctml
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ifeq ($(build_ck),1)
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exes = $(BINDIR)/cti2ctml $(BINDIR)/ck2cti
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endif
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.cpp.o:
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@CXX@ -c $< @DEFS@ $(INCDIR) @CXXFLAGS@ $(CXX_FLAGS)
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all: $(BINDIR)/cti2ctml $(BINDIR)/ck2cti
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all: $(exes)
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$(BINDIR)/ck2cti: ck2cti.o $(CONVLIB_DEP) $(CANTERALIB_DEP)
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@CXX@ -o $(BINDIR)/ck2cti ck2cti.o $(LCXX_FLAGS) -lconverters $(LOCAL_LIBS) \
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$(LCXX_END_LIBS)
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$(BINDIR)/cti2ctml: cti2ctml.o $(CONVLIB_DEP) $(CANTERALIB_DEP)
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@CXX@ -o $(BINDIR)/cti2ctml cti2ctml.o $(LCXX_FLAGS) -lconverters $(LOCAL_LIBS) \
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$(BINDIR)/cti2ctml: cti2ctml.o $(CANTERALIB_DEP)
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@CXX@ -o $(BINDIR)/cti2ctml cti2ctml.o $(LCXX_FLAGS) $(LOCAL_LIBS) \
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$(LCXX_END_LIBS)
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$(CONVLIB_DEP):
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cd ../../Cantera/src/converters; make
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clean:
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$(RM) *.o *.*~
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