From 3f6b4b71c5c343e03d66d257051f9e62c15ba6ad Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Tue, 30 Dec 2008 03:16:04 +0000 Subject: [PATCH] Fixed an error with H298MODIFY_CAPABILITY. Put it into the configure script. --- config.h.in | 5 +++++ configure | 47 ++++++++++++++++++++++++++++++++++++++++++----- configure.in | 13 +++++++++++++ preconfig | 6 ++++++ 4 files changed, 66 insertions(+), 5 deletions(-) diff --git a/config.h.in b/config.h.in index 70e33e52e..8b7c70a3a 100755 --- a/config.h.in +++ b/config.h.in @@ -163,5 +163,10 @@ typedef int ftnlen; // Fortran hidden string length type // accessed by specifying the solver=2 option #undef WITH_VCSNONIDEAL +//-------------- Optional Cantera Capabilities ---------------------- + +// Enable sensitivity analysis via changing H298 directly +// for species +#undef H298MODIFY_CAPABILITY #endif diff --git a/configure b/configure index 9bc1ddae1..12b041f72 100755 --- a/configure +++ b/configure @@ -308,7 +308,7 @@ ac_includes_default="\ # include #endif" -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 BITCOMPILE BITHARDWARE BITCHANGE ldemulationarg CVF_LIBDIR USE_CLIB_DLL local_inst local_python_inst python_prefix python_win_prefix ctversion homedir ct_libdir ct_bindir ct_incdir ct_incroot ct_datadir ct_demodir ct_templdir ct_tutdir ct_docdir ct_dir ct_mandir COMPACT_INSTALL 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 GRAPHVIZDIR ARCHIVE DO_RANLIB RANLIB CXX_DEPENDS USERDIR INCL_USER_CODE CXX CXXFLAGS LDFLAGS CPPFLAGS ac_ct_CXX EXEEXT OBJEXT use_sundials CVODE_LIBS IDA_LIBS sundials_include CANTERA_DEBUG_MODE COMPILE_PURE_FLUIDS phase_object_files phase_header_files COMPILE_IDEAL_SOLUTIONS COMPILE_ELECTROLYTES NEED_CATHERMO COMPILE_KINETICS COMPILE_HETEROKIN COMPILE_RXNPATH WITH_REACTORS KERNEL KERNEL_OBJ BUILD_CK LIB_DIR COMPILE_VCSNONIDEAL BOOST_INCLUDE BOOST_LIB build_lapack build_blas BLAS_LAPACK_LIBS BLAS_LAPACK_LINK BLAS_LAPACK_DIR build_with_f2c build_f2c_lib F2C_SYSTEMLIB BOOST_LIB_DIR LOCAL_LIB_DIRS LOCAL_LIBS LOCAL_LIBS_DEP INSTALL_LIBS_DEP RAW_LIBS_DEP CANTERA_CORE_LIBS CANTERA_CORE_LIBS_DEP CT_SHARED_LIB PYTHON_CMD BUILD_PYTHON NUMARRAY_INC_DIR NUMARRAY_HOME CANTERA_PYTHON_HOME CVSTAG MATLAB_CMD BUILD_MATLAB BUILD_CLIB export_name PIC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA CC CFLAGS ac_ct_CC CXXCPP EGREP SOEXT SHARED CXX_INCLUDES LCXX_FLAGS LCXX_END_LIBS HAVE_STRIPSYMBOLS F77 FFLAGS ac_ct_F77 FLIBS F90 BUILD_F90 F90FLAGS F90BUILDFLAGS F90LIBS precompile_headers OS_IS_DARWIN OS_IS_WIN OS_IS_CYGWIN SHARED_CTLIB mex_ext F77_EXT CXX_EXT OBJ_EXT EXE_EXT math_libs SO LDSHARED EXTRA_LINK TSCOMPARE_abs INSTALL_abs INSTALL_VERBOSE 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 BITCOMPILE BITHARDWARE BITCHANGE ldemulationarg CVF_LIBDIR USE_CLIB_DLL local_inst local_python_inst python_prefix python_win_prefix ctversion homedir ct_libdir ct_bindir ct_incdir ct_incroot ct_datadir ct_demodir ct_templdir ct_tutdir ct_docdir ct_dir ct_mandir COMPACT_INSTALL 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 GRAPHVIZDIR ARCHIVE DO_RANLIB RANLIB CXX_DEPENDS USERDIR INCL_USER_CODE CXX CXXFLAGS LDFLAGS CPPFLAGS ac_ct_CXX EXEEXT OBJEXT use_sundials CVODE_LIBS IDA_LIBS sundials_include CANTERA_DEBUG_MODE COMPILE_PURE_FLUIDS phase_object_files phase_header_files COMPILE_IDEAL_SOLUTIONS COMPILE_ELECTROLYTES NEED_CATHERMO COMPILE_KINETICS COMPILE_HETEROKIN COMPILE_RXNPATH WITH_REACTORS KERNEL KERNEL_OBJ BUILD_CK LIB_DIR COMPILE_VCSNONIDEAL COMPILE_H298MODIFY_CAPABILITY BOOST_INCLUDE BOOST_LIB PURIFY build_lapack build_blas BLAS_LAPACK_LIBS BLAS_LAPACK_LINK BLAS_LAPACK_DIR build_with_f2c build_f2c_lib F2C_SYSTEMLIB BOOST_LIB_DIR LOCAL_LIB_DIRS LOCAL_LIBS LOCAL_LIBS_DEP INSTALL_LIBS_DEP RAW_LIBS_DEP CANTERA_CORE_LIBS CANTERA_CORE_LIBS_DEP CT_SHARED_LIB PYTHON_CMD BUILD_PYTHON NUMARRAY_INC_DIR NUMARRAY_HOME CANTERA_PYTHON_HOME CVSTAG MATLAB_CMD BUILD_MATLAB BUILD_CLIB export_name PIC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA CC CFLAGS ac_ct_CC CXXCPP EGREP SOEXT SHARED CXX_INCLUDES LCXX_FLAGS LCXX_END_LIBS HAVE_STRIPSYMBOLS F77 FFLAGS ac_ct_F77 FLIBS F90 BUILD_F90 F90FLAGS F90BUILDFLAGS F90LIBS precompile_headers OS_IS_DARWIN OS_IS_WIN OS_IS_CYGWIN SHARED_CTLIB mex_ext F77_EXT CXX_EXT OBJ_EXT EXE_EXT math_libs SO LDSHARED EXTRA_LINK TSCOMPARE_abs INSTALL_abs INSTALL_VERBOSE LIBOBJS LTLIBOBJS' ac_subst_files='' # Initialize some variables set by options. @@ -1415,6 +1415,7 @@ SHARED_CTLIB=0 OS_IS_DARWIN=0 OS_IS_WIN=0 OS_IS_CYGWIN=0 +OS_IS_SOLARIS=0 EXTRA_LINK=${EXTRA_LINK:=""} # default Matlab MEX file extension @@ -1429,6 +1430,7 @@ case $ac_sys_system in # mex_ext=mexmaci ;;#fi;; CYGWIN*) OS_IS_CYGWIN=1; mex_ext=mexw32;; + SunOS*) OS_IS_SOLARIS=1;; Linux* ) case $BITHARDWARE in 64 ) if test "$BITCHANGE" = "y" ; then ldemulationarg='-melf_i386' @@ -1679,6 +1681,12 @@ if test "x${OS_IS_CYGWIN}" = "x1"; then #define CYGWIN $OS_IS_CYGWIN _ACEOF +fi +if test "x${OS_IS_SOLARIS}" = "x1"; then + cat >>confdefs.h <<_ACEOF +#define SOLARIS $OS_IS_SOLARIS +_ACEOF + fi if test "x${OS_IS_WIN}" = "x1"; then cat >>confdefs.h <<_ACEOF @@ -2695,6 +2703,17 @@ _ACEOF fi +COMPILE_H298MODIFY_CAPABILITY=0 +if test "$WITH_H298MODIFY_CAPABILITY" = "y"; then + cat >>confdefs.h <<\_ACEOF +#define H298MODIFY_CAPABILITY 1 +_ACEOF + + COMPILE_H298MODIFY_CAPABILITY=1 +fi + + + if test "$WITH_HTML_LOG_FILES" = "y"; then cat >>confdefs.h <<\_ACEOF #define WITH_HTML_LOGS 1 @@ -2797,6 +2816,11 @@ if test "$COMPILE_VCSNONIDEAL" = "1" ; then else echo " VCS NonIdeal equilibrium solver = OFF" fi +if test "$COMPILE_H298MODIFY_CAPABILITY" = "1" ; then + echo " H298 Modify Capability = ON" +else + echo " H298 Modify Capability = OFF" +fi echo " " echo " " @@ -2836,6 +2860,18 @@ fi echo " " +########################################################## +# PURIFY +########################################################## + + +if test "x$PURIFY" != "x"; then + cat >>confdefs.h <<\_ACEOF +#define PURIFY_MODE 1 +_ACEOF + +fi + ######################################################## # BLAS and LAPACK ######################################################## @@ -8652,7 +8688,7 @@ fi # Provide some information about the compiler. -echo "$as_me:8655:" \ +echo "$as_me:8691:" \ "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 @@ -8855,7 +8891,7 @@ _ACEOF # flags. ac_save_FFLAGS=$FFLAGS FFLAGS="$FFLAGS $ac_verb" -(eval echo $as_me:8858: \"$ac_link\") >&5 +(eval echo $as_me:8894: \"$ac_link\") >&5 ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f77_v_output" >&5 FFLAGS=$ac_save_FFLAGS @@ -8933,7 +8969,7 @@ _ACEOF # flags. ac_save_FFLAGS=$FFLAGS FFLAGS="$FFLAGS $ac_cv_prog_f77_v" -(eval echo $as_me:8936: \"$ac_link\") >&5 +(eval echo $as_me:8972: \"$ac_link\") >&5 ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f77_v_output" >&5 FFLAGS=$ac_save_FFLAGS @@ -9274,7 +9310,6 @@ F90BUILDFLAGS=${f90buildopts}' '${savef90flags} - # filename extensions for Fortran 77 if test -z "$F77_EXT"; then F77_EXT=f; fi @@ -10183,8 +10218,10 @@ s,@KERNEL_OBJ@,$KERNEL_OBJ,;t t s,@BUILD_CK@,$BUILD_CK,;t t s,@LIB_DIR@,$LIB_DIR,;t t s,@COMPILE_VCSNONIDEAL@,$COMPILE_VCSNONIDEAL,;t t +s,@COMPILE_H298MODIFY_CAPABILITY@,$COMPILE_H298MODIFY_CAPABILITY,;t t s,@BOOST_INCLUDE@,$BOOST_INCLUDE,;t t s,@BOOST_LIB@,$BOOST_LIB,;t t +s,@PURIFY@,$PURIFY,;t t s,@build_lapack@,$build_lapack,;t t s,@build_blas@,$build_blas,;t t s,@BLAS_LAPACK_LIBS@,$BLAS_LAPACK_LIBS,;t t diff --git a/configure.in b/configure.in index fe260fc8a..beb55a7e2 100755 --- a/configure.in +++ b/configure.in @@ -583,6 +583,14 @@ if test "$WITH_VCSNONIDEAL" = "y"; then fi AC_SUBST(COMPILE_VCSNONIDEAL) +COMPILE_H298MODIFY_CAPABILITY=0 +if test "$WITH_H298MODIFY_CAPABILITY" = "y"; then + AC_DEFINE(H298MODIFY_CAPABILITY) + COMPILE_H298MODIFY_CAPABILITY=1 +fi +AC_SUBST(COMPILE_H298MODIFY_CAPABILITY) + + if test "$WITH_HTML_LOG_FILES" = "y"; then AC_DEFINE(WITH_HTML_LOGS) fi @@ -679,6 +687,11 @@ if test "$COMPILE_VCSNONIDEAL" = "1" ; then else echo " VCS NonIdeal equilibrium solver = OFF" fi +if test "$COMPILE_H298MODIFY_CAPABILITY" = "1" ; then + echo " H298 Modify Capability = ON" +else + echo " H298 Modify Capability = OFF" +fi echo " " echo " " diff --git a/preconfig b/preconfig index 1568678fb..db2feae4e 100755 --- a/preconfig +++ b/preconfig @@ -221,6 +221,11 @@ WITH_ELECTROLYTES=${WITH_ELECTROLYTES:="y"} # WARNING: Support for PrIMe is experimental! WITH_PRIME=${WITH_PRIME:="n"} +# Enable changing the 298K heats of formation directly +# via the C++ layer. To do this, modify the variable below +# to have a value of "y" +WITH_H298MODIFY_CAPABILITY=${WITH_H298MODIFY_CAPABILITY:="n"} + ###################################################################### # if set to 'y', the ck2cti program that converts Chemkin input files # to Cantera format will be built. If you don't use Chemkin format @@ -554,6 +559,7 @@ export WITH_PURE_FLUIDS export WITH_IDEAL_SOLUTIONS export WITH_ELECTROLYTES export WITH_PRIME +export WITH_H298MODIFY_CAPABILITY export BUILD_THREAD_SAFE export BOOST_INC_DIR