--- trunk/OOPSE/configure 2003/10/29 14:29:12 840 +++ trunk/OOPSE/configure 2004/06/04 02:38:23 1233 @@ -311,7 +311,7 @@ ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKA # 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 PROGNAME debug build build_cpu build_vendor build_os host host_cpu host_vendor host_os CC CFLAGS LDFLAGS CPPFLAGS ac_ct_CC EXEEXT OBJEXT CXX CXXFLAGS ac_ct_CXX OOPSE_TEMPLATE_FLAGS EXTRA_CC_FLAG F90 F90FLAGS ac_ct_F90 PREPFLAG PREPDEFFLAG F90LIBS F90_FUNC F90_FUNC_ MOD F90_WORK_FILES_ARG MODDIRFLAG F90MODINCSPEC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA LN_S SET_MAKE RANLIB ac_ct_RANLIB YACC LEX LEXLIB LEX_OUTPUT_ROOT AR mpi_dir MPI_LIBDIR MPI_INC MPI_LIB MPIF77 MPIF90 MPILIBS CPP EGREP SPRNG_LIBDIR SPRNG_LIB SPRNG_INC HAVE_SPRNG MKL_LIBDIR MKL_LIB MKL_INC HAVE_MKL MPI_F90_MODS MPIMODLIBNAME BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS FFLAGS 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 PROGNAME debug build build_cpu build_vendor build_os host host_cpu host_vendor host_os CC CFLAGS LDFLAGS CPPFLAGS ac_ct_CC EXEEXT OBJEXT CXX CXXFLAGS ac_ct_CXX OOPSE_TEMPLATE_FLAGS EXTRA_CC_FLAG F90 F90FLAGS ac_ct_F90 PREPFLAG PREPDEFFLAG F90LIBS F90_FUNC F90_FUNC_ MOD F90_WORK_FILES_ARG MODDIRFLAG F90MODINCSPEC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA LN_S SET_MAKE RANLIB ac_ct_RANLIB YACC LEX LEXLIB LEX_OUTPUT_ROOT AR MPI_LIB_DIR MPI_INC_DIR MPI_F90_INC MPI_LIB MPI_F90_LIB USE_MPI CPP EGREP SPRNG_LIBDIR SPRNG_LIB SPRNG_INC HAVE_SPRNG MKL_LIBDIR MKL_LIB MKL_INC HAVE_MKL BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS FFLAGS LIBOBJS LTLIBOBJS' ac_subst_files='' # Initialize some variables set by options. @@ -784,10 +784,6 @@ ac_env_MPIF77_set=${MPIF77+set} ac_env_F90FLAGS_value=$F90FLAGS ac_cv_env_F90FLAGS_set=${F90FLAGS+set} ac_cv_env_F90FLAGS_value=$F90FLAGS -ac_env_MPIF77_set=${MPIF77+set} -ac_env_MPIF77_value=$MPIF77 -ac_cv_env_MPIF77_set=${MPIF77+set} -ac_cv_env_MPIF77_value=$MPIF77 ac_env_CPP_set=${CPP+set} ac_env_CPP_value=$CPP ac_cv_env_CPP_set=${CPP+set} @@ -874,17 +870,13 @@ Optional Packages: Optional Packages: --with-PACKAGE[=ARG] use PACKAGE [ARG=yes] --without-PACKAGE do not use PACKAGE (same as --with-PACKAGE=no) - --with-mpi_dir=MPIDIR give the path for MPI /usr/local - --with-mpi-libdir=dir give the path for MPI-libraries MPI_DIR/lib - --with-mpi_inc=dir give the path for MPI-include-files MPI_DIR/include + --with-mpi= compile with MPI libraries in [default=no] --with-sprng_prefix=PREFIX Prefix where SPRNG is installed --with-sprng-libdir=PREFIX SPRNG library directory --with-sprng-include=PREFIX SPRNG include directory - --with-mkl Do we want MKL will check /usr/local/intel/mkl60 /opt/intel/mkl60 - --with-mpi_f90_mods= - Location where MPI f90 modules are installed + --with-mkl Do we want MKL will check /usr/local/intel/mkl61 /opt/intel/mkl61 Some influential environment variables: CC C compiler command @@ -897,7 +889,6 @@ Some influential environment variables: CXXFLAGS C++ compiler flags F90 Fortran 90 compiler command F90FLAGS Fortran 90 compiler flags - MPIF77 MPI Fortran compiler command CPP C preprocessor Use these variables to override the choices made by `configure' or to help @@ -1792,6 +1783,12 @@ ac_configure="$SHELL $ac_aux_dir/configure" # This sho # $SHELLVAR to the Fortran 95 mangled name. If the SHELLVAR # argument is not supplied, it defaults to NAME. # AC_F95_FUNC + + + + + + @@ -1836,6 +1833,7 @@ ac_configure="$SHELL $ac_aux_dir/configure" # This sho + # set program name PROGNAME="oopse" @@ -2573,7 +2571,7 @@ if test -n "$ac_tool_prefix"; then 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 icpc icc xlC CC g++ c++ + for ac_prog in $CCC icpc icc xlc++ xlC CC g++ c++ do # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. set dummy $ac_tool_prefix$ac_prog; ac_word=$2 @@ -2615,7 +2613,7 @@ if test -z "$CXX"; then fi if test -z "$CXX"; then ac_ct_CXX=$CXX - for ac_prog in $CCC icpc icc xlC CC g++ c++ + for ac_prog in $CCC icpc icc xlc++ xlC CC g++ c++ do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -2887,6 +2885,7 @@ OOPSE_TEMPLATE_FLAGS="" ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' ac_compiler_gnu=$ac_cv_c_compiler_gnu + OOPSE_TEMPLATE_FLAGS="" if test $ac_cv_cxx_compiler_gnu = no; then echo "$as_me:$LINENO: checking checking whether ${CXX} accepts -ptused -no_prelink" >&5 @@ -2931,6 +2930,8 @@ echo "${ECHO_T}yes" >&6 if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then echo "$as_me:$LINENO: result: yes" >&5 echo "${ECHO_T}yes" >&6 + + EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" else echo "$as_me:$LINENO: result: no" >&5 @@ -2946,7 +2947,7 @@ if test -n "$ac_tool_prefix"; then ac_link='$F90 -o conftest$ac_exeext $F90FLAGS $LD90FLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' ac_compiler_gnu=$ac_cv_f90_compiler_gnu if test -n "$ac_tool_prefix"; then - for ac_prog in ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95 + for ac_prog in ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95 do # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. set dummy $ac_tool_prefix$ac_prog; ac_word=$2 @@ -2988,7 +2989,7 @@ if test -z "$F90"; then fi if test -z "$F90"; then ac_ct_F90=$F90 - for ac_prog in ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95 + for ac_prog in ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95 do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -3096,7 +3097,7 @@ if test "$ac_test_PREPFLAG" != "set"; then PREPFLAG="" case "${host_cpu}-${host_os}" in - *linux*) if test "$F90" = ifc; then + *linux*) if test "$F90" = ifc -o "$F90" = ifort; then PREPFLAG="-fpp1 " fi;; *aix*) if test "$F90" = xlf90 -o "$F90" = f90; then @@ -3109,13 +3110,8 @@ if test "$ac_test_PREPFLAG" != "set"; then esac if test -z "$PREPFLAG"; then - echo "" - echo "**********************************************************" - echo "* WARNING: Don't know the best PREPFLAG for this system *" - echo "* Use make PREPFLAG=..., or edit the top level Makefile *" - echo "* (otherwise, an empty PREPFLAG will be used) *" - echo "**********************************************************" - echo "" + { echo "$as_me:$LINENO: WARNING: \"Using empty PREPFLAG\"" >&5 +echo "$as_me: WARNING: \"Using empty PREPFLAG\"" >&2;} PREPFLAG="" fi @@ -3178,7 +3174,6 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu ac_compiler_gnu=$ac_cv_c_compiler_gnu - if test "$prepflagworks" = 1; then echo "$as_me:$LINENO: result: yes" >&5 echo "${ECHO_T}yes" >&6 @@ -3203,7 +3198,7 @@ if test "$ac_test_PREPDEFFLAG" != "set"; then PREPDEFFLAG="" case "${host_cpu}-${host_os}" in - *linux*) if test "$F90" = ifc; then + *linux*) if test "$F90" = ifc -o "$F90" = ifort; then PREPDEFFLAG=" " fi;; *aix*) if test "$F90" = xlf90 -o "$F90" = f90; then @@ -3216,13 +3211,8 @@ if test "$ac_test_PREPDEFFLAG" != "set"; then esac if test -z "$PREPDEFFLAG"; then - echo "" - echo "*************************************************************" - echo "* WARNING: Don't know the best PREPDEFFLAG for this system *" - echo "* Use make PREPDEFFLAG=..., or edit the top level Makefile *" - echo "* (otherwise, an empty PREPDEFFLAG will be used) *" - echo "*************************************************************" - echo "" + { echo "$as_me:$LINENO: WARNING: \"Using empty PREPDEFFLAG\"" >&5 +echo "$as_me: WARNING: \"Using empty PREPDEFFLAG\"" >&2;} PREPDEFFLAG=" " fi @@ -3364,7 +3354,7 @@ F90FLAGS="$F90FLAGS $ac_verb" ac_save_F90FLAGS=$F90FLAGS F90FLAGS="$F90FLAGS $ac_verb" -(eval echo $as_me:3367: \"$ac_link\") >&5 +(eval echo $as_me:3357: \"$ac_link\") >&5 ac_f90_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f90_v_output" >&5 F90FLAGS=$ac_save_F90FLAGS @@ -3441,7 +3431,7 @@ F90FLAGS="$F90FLAGS $ac_cv_prog_f90_v" ac_save_F90FLAGS=$F90FLAGS F90FLAGS="$F90FLAGS $ac_cv_prog_f90_v" -(eval echo $as_me:3444: \"$ac_link\") >&5 +(eval echo $as_me:3434: \"$ac_link\") >&5 ac_f90_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f90_v_output" >&5 F90FLAGS=$ac_save_F90FLAGS @@ -4015,10 +4005,48 @@ case $debug in 1) ;; *) + + +echo "$as_me:$LINENO: checking whether we are *really* using GNU cc" >&5 +echo $ECHO_N "checking whether we are *really* using GNU cc... $ECHO_C" >&6 +if test "${ac_cv_prog_really_gcc+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + +cat > conftest.c <&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; } | egrep yes >/dev/null 2>&1; then + ac_cv_prog_really_gcc=yes +else + ac_cv_prog_really_gcc=no +fi + +fi +echo "$as_me:$LINENO: result: $ac_cv_prog_really_gcc" >&5 +echo "${ECHO_T}$ac_cv_prog_really_gcc" >&6 +if test "$ac_cv_prog_really_gcc" = yes; then + : + +else + : + +fi + + # Try to determine "good" native compiler flags if none specified on command # line if test "$ac_test_CFLAGS" != "set"; then @@ -4058,26 +4086,17 @@ if test "$ac_test_CFLAGS" != "set"; then fi;; *darwin*) if test "$CC" = xlc -o "$CC" = cc; then - CFLAGS="-O3 -qtune=auto -w" - echo "*******************************************************" - echo "* You have Darwin on an unknown powerpc system. *" - echo "* It is recommended that you use *" - echo "* *" - echo "* CFLAGS=-O3 -qarch=ppc -qtune=xxx -qansialias -w *" - echo "* ^^^ *" - echo "* where xxx is 601, 603, 604, or whatever kind of *" - echo "* PowerPC CPU you have. For more info, man cc. *" - echo "*******************************************************" + CFLAGS="-qthreaded -O5 -qtune=auto -qarch=auto -qunroll=auto -qaltivec" fi;; esac # use default flags for gcc on all systems - if test $ac_cv_c_compiler_gnu = yes; then + if test $ac_cv_prog_really_gcc = yes; then CFLAGS="-O6 -fomit-frame-pointer -Wall -W -Wcast-qual -Wpointer-arith -Wcast-align -pedantic" fi # test for gcc-specific flags: - if test $ac_cv_c_compiler_gnu = yes; then + if test $ac_cv_prog_really_gcc = yes; then # -malign-double for x86 systems @@ -4135,7 +4154,7 @@ fi fi CPU_FLAGS="" - if test "$GCC" = "yes"; then + if test $ac_cv_prog_really_gcc = yes; then case "${host_cpu}" in i586*) @@ -4281,7 +4300,7 @@ cat > conftest.c < conftest.c < 2) || (__GNUC__ == 2 && __GNUC_MINOR__ >= 95) yes; # endif @@ -4449,6 +4468,44 @@ fi + + + + +echo "$as_me:$LINENO: checking whether we are *really* using GNU c++" >&5 +echo $ECHO_N "checking whether we are *really* using GNU c++... $ECHO_C" >&6 +if test "${ac_cv_prog_really_gxx+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + +cat > conftest.cpp <&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; } | egrep yes >/dev/null 2>&1; then + ac_cv_prog_really_gxx=yes +else + ac_cv_prog_really_gxx=no +fi + +fi +echo "$as_me:$LINENO: result: $ac_cv_prog_really_gxx" >&5 +echo "${ECHO_T}$ac_cv_prog_really_gxx" >&6 +if test "$ac_cv_prog_really_gxx" = yes; then + : + +else + : + +fi # Try to determine "good" native compiler flags if none specified on command @@ -4480,27 +4537,18 @@ if test "$ac_test_CXXFLAGS" != "set"; then echo "*******************************************************" fi;; *darwin*) - if test "$CXX" = xlC; then - CXXFLAGS="-O3 -qtune=auto -qansialias -w" - echo "*******************************************************" - echo "* You have AIX on an unknown powerpc system. It is *" - echo "* recommended that you use *" - echo "* *" - echo "* CXXFLAGS=-O3 -qarch=ppc -qtune=xxx -qansialias -w *" - echo "* ^^^ *" - echo "* where xxx is 601, 603, 604, or whatever kind of *" - echo "* PowerPC CPU you have. For more info, man cc. *" - echo "*******************************************************" + if test "$CXX" = xlc++; then + CXXFLAGS="-qthreaded -O5 -qtune=auto -qarch=auto -qunroll=auto -qaltivec" fi;; esac # use default flags for gcc on all systems - if test $ac_cv_c_compiler_gnu = yes; then + if test $ac_cv_prog_really_gxx = yes; then CXXFLAGS="-O6 -fomit-frame-pointer -Wall -W -Wcast-qual -Wpointer-arith -Wcast-align -pedantic" fi # test for gcc-specific flags: - if test $ac_cv_c_compiler_gnu = yes; then + if test $ac_cv_prog_really_gxx = yes; then # -malign-double for x86 systems @@ -4558,17 +4606,17 @@ fi fi CPU_FLAGS="" - if test "$GCC" = "yes"; then + if test $ac_cv_prog_really_gxx = yes; then case "${host_cpu}" in i586*) -echo "$as_me:$LINENO: checking whether ${CC-cc} accepts -mcpu=pentium" >&5 -echo $ECHO_N "checking whether ${CC-cc} accepts -mcpu=pentium... $ECHO_C" >&6 +echo "$as_me:$LINENO: checking whether ${CXX-c++} accepts -mcpu=pentium" >&5 +echo $ECHO_N "checking whether ${CXX-c++} accepts -mcpu=pentium... $ECHO_C" >&6 if test "${ac_cpu_pentium+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 else - echo 'void f(){}' > conftest.c -if test -z "`${CC-cc} -mcpu=pentium -c conftest.c 2>&1`"; then + echo 'void f(){}' > conftest.cpp +if test -z "`${CXX-c++} -mcpu=pentium -c conftest.cpp 2>&1`"; then ac_cpu_pentium=yes else ac_cpu_pentium=no @@ -4697,34 +4745,34 @@ echo "$as_me:$LINENO: checking whether we are using gc elif test "$cputype" = 750; then -echo "$as_me:$LINENO: checking whether we are using gcc 2.95 or later" >&5 -echo $ECHO_N "checking whether we are using gcc 2.95 or later... $ECHO_C" >&6 -if test "${ac_cv_prog_gcc_2_95+set}" = set; then +echo "$as_me:$LINENO: checking whether we are using g++ 2.95 or later" >&5 +echo $ECHO_N "checking whether we are using g++ 2.95 or later... $ECHO_C" >&6 +if test "${ac_cv_prog_gxx_2_95+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 else -cat > conftest.c < conftest.cpp < 2) || (__GNUC__ == 2 && __GNUC_MINOR__ >= 95) yes; # endif #endif EOF -if { ac_try='${CC-cc} -E conftest.c' +if { ac_try='${CXX-c++} -E conftest.cpp' { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 (eval $ac_try) 2>&5 ac_status=$? echo "$as_me:$LINENO: \$? = $ac_status" >&5 (exit $ac_status); }; } | egrep yes >/dev/null 2>&1; then - ac_cv_prog_gcc_2_95=yes + ac_cv_prog_gxx_2_95=yes else - ac_cv_prog_gcc_2_95=no + ac_cv_prog_gxx_2_95=no fi fi -echo "$as_me:$LINENO: result: $ac_cv_prog_gcc_2_95" >&5 -echo "${ECHO_T}$ac_cv_prog_gcc_2_95" >&6 -if test "$ac_cv_prog_gcc_2_95" = yes; then +echo "$as_me:$LINENO: result: $ac_cv_prog_gxx_2_95" >&5 +echo "${ECHO_T}$ac_cv_prog_gxx_2_95" >&6 +if test "$ac_cv_prog_gxx_2_95" = yes; then : @@ -4881,7 +4929,7 @@ if test x"$F90FLAGS" = x ; then F90FLAGS="" case "${host_cpu}-${host_os}" in - *linux*) if test "$F90" = ifc; then + *linux*) if test "$F90" = ifc -o "$F90" = ifort; then F90FLAGS="-O" fi;; rs6000*-aix*) if test "$F90" = xlf90 -o "$F90" = f90; then @@ -4901,17 +4949,8 @@ if test x"$F90FLAGS" = x ; then echo "*******************************************************" fi;; *darwin*) - if test "$F90" = f90 -o "$F90" = xlf90; then - F90FLAGS="-O3 -qtune=auto -w" - echo "*********************************************************" - echo "* You have Darwin on an unknown powerpc system. It is *" - echo "* recommended that you use *" - echo "* *" - echo "* CXXFLAGS=-O3 -qarch=ppc -qtune=xxx -qansialias -w *" - echo "* ^^^ *" - echo "* where xxx is 601, 603, 604, or whatever kind of *" - echo "* PowerPC CPU you have. For more info, man xlf. *" - echo "*********************************************************" + if test "$F90" = f90 -o "$F90" = xlf90 -o "$F90" = xlf95; then + F90FLAGS="-qthreaded -O5 -qtune=auto -qarch=auto -qunroll=auto" fi;; esac @@ -5537,160 +5576,187 @@ echo "$as_me:$LINENO: checking for mpi-directory" >&5 exit 1 fi -echo "$as_me:$LINENO: checking for mpi-directory" >&5 -echo $ECHO_N "checking for mpi-directory... $ECHO_C" >&6 -# Check whether --with-mpi_dir or --without-mpi_dir was given. -if test "${with_mpi_dir+set}" = set; then - withval="$with_mpi_dir" - MPI_DIR="$withval" + +# Check whether --with-mpi or --without-mpi was given. +if test "${with_mpi+set}" = set; then + withval="$with_mpi" + with_mpi=$withval else - MPI_DIR="/usr/local" + with_mpi="no" fi; -echo "$as_me:$LINENO: result: $MPI_DIR" >&5 -echo "${ECHO_T}$MPI_DIR" >&6 +case "x$with_mpi" in + xyes | "x") USE_MPI=yes;; + xno) USE_MPI=no ;; + *) MPI="$with_mpi"; USE_MPI=yes ;; +esac +if test "$USE_MPI" = "yes" -a -z "$with_mpi"; then + MPI="/usr/local" +fi +if test "$USE_MPI" = "yes"; then + echo "MPI = $MPI" -echo "$as_me:$LINENO: checking for mpi-lib-directory" >&5 -echo $ECHO_N "checking for mpi-lib-directory... $ECHO_C" >&6 -# Check whether --with-mpi_libdir or --without-mpi_libdir was given. -if test "${with_mpi_libdir+set}" = set; then - withval="$with_mpi_libdir" - MPI_LIBDIR="$withval" -else - MPI_LIBDIR="$MPI_DIR/lib" -fi; -echo "$as_me:$LINENO: result: $MPI_LIBDIR" >&5 -echo "${ECHO_T}$MPI_LIBDIR" >&6 +# Set variables... +MPI_LIB_DIR="$MPI/lib" +MPI_INC_DIR="$MPI/include" -echo "$as_me:$LINENO: checking for mpi-inc-directory" >&5 -echo $ECHO_N "checking for mpi-inc-directory... $ECHO_C" >&6 -# Check whether --with-mpi_inc or --without-mpi_inc was given. -if test "${with_mpi_inc+set}" = set; then - withval="$with_mpi_inc" - MPI_INC="$withval" +echo "$as_me:$LINENO: checking for mpi.h" >&5 +echo $ECHO_N "checking for mpi.h... $ECHO_C" >&6 +have_mpi_h=0 +echo '#include ' > conftest.cc +if test -z "`${CXX} -I${MPI_INC_DIR} -c conftest.cc 2>&1`"; then + echo "$as_me:$LINENO: result: yes" >&5 +echo "${ECHO_T}yes" >&6 + have_mpi_h=1 else - MPI_INC="$MPI_DIR/include" -fi; -echo "$as_me:$LINENO: result: $MPI_INC" >&5 -echo "${ECHO_T}$MPI_INC" >&6 + echo "$as_me:$LINENO: result: no! Check MPI include paths" >&5 +echo "${ECHO_T}no! Check MPI include paths" >&6 + USE_MPI="no" +fi +rm -f conftest* +if test "$have_mpi_h" = 1; then + +cat >>confdefs.h <<\_ACEOF +#define HAVE_MPI_H 1 +_ACEOF + +fi + +echo "$as_me:$LINENO: checking whether mpif.h is usable" >&5 +echo $ECHO_N "checking whether mpif.h is usable... $ECHO_C" >&6 +have_mpif_h=0 +rm -f conftest* +cat >conftest.f90 < conftest.out 2>&1 ; then + echo "$as_me:$LINENO: result: yes" >&5 +echo "${ECHO_T}yes" >&6 + MPI_F90_INC="$MPI_INC" + have_mpif_h=1 +else + if test -s conftest.out ; then + cat conftest.out >> config.log + fi + echo "$as_me:$LINENO: result: no! Check MPI include paths" >&5 +echo "${ECHO_T}no! Check MPI include paths" >&6 + USE_MPI="no" +fi +rm -f conftest* +if test "$have_mpif_h" = 1; then +cat >>confdefs.h <<\_ACEOF +#define HAVE_MPIF_H 1 +_ACEOF -echo "$as_me:$LINENO: checking for MPI library" >&5 -echo $ECHO_N "checking for MPI library... $ECHO_C" >&6 -MPI_LIB="" -case "$host" in - *-ibm-aix*) - echo "$as_me:$LINENO: checking whether to use signal-based MPI library" >&5 -echo $ECHO_N "checking whether to use signal-based MPI library... $ECHO_C" >&6 - echo "$as_me:$LINENO: result: $PACX_SIGNAL" >&5 -echo "${ECHO_T}$PACX_SIGNAL" >&6 - if test "x$PACX_SIGNAL" = "xyes" ; then - if test -f "$MPI_LIBDIR/libmpi.a" ; then - MPI_LIB="-lmpi" - elif test -f "$MPI_LIBDIR/libmpi.so" ; then - MPI_LIB="-lmpi" - elif test -f "$MPI_LIBDIR/libmpich.a" ; then - MPI_LIB="-lmpich" - else - { { echo "$as_me:$LINENO: error: neither libmpi nor libmpich found; check path for MPI package first..." >&5 -echo "$as_me: error: neither libmpi nor libmpich found; check path for MPI package first..." >&2;} - { (exit 1); exit 1; }; } - fi - else - if test -f "$MPI_LIBDIR/libmpi_r.a" ; then - MPI_LIB="-lmpi_r" - else - { { echo "$as_me:$LINENO: error: libmpi_r not found; check path for MPI package..." >&5 -echo "$as_me: error: libmpi_r not found; check path for MPI package..." >&2;} - { (exit 1); exit 1; }; } - fi - fi - echo "$as_me:$LINENO: result: found $MPI_LIB" >&5 -echo "${ECHO_T}found $MPI_LIB" >&6 - ;; - *) if test -f "$MPI_LIBDIR/libmpi.a" ; then - MPI_LIB="-lmpi" - elif test -f "$MPI_LIBDIR/libmpi.so" ; then - MPI_LIB="-lmpi" - elif test -f "$MPI_LIBDIR/libmpich.a" ; then - MPI_LIB="-lmpich" - else - { { echo "$as_me:$LINENO: error: neither libmpi nor libmpich found; check path for MPI package first..." >&5 -echo "$as_me: error: neither libmpi nor libmpich found; check path for MPI package first..." >&2;} - { (exit 1); exit 1; }; } - fi - echo "$as_me:$LINENO: result: found $MPI_LIB" >&5 -echo "${ECHO_T}found $MPI_LIB" >&6 - ;; -esac +fi +ac_ext=c +ac_cpp='$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_save_LDFLAGS=$LDFLAGS +LDFLAGS="${LDFLAGS} -L${MPI_LIB_DIR} " - - - - - for ac_prog in mpif90 hf90 mpxlf90 mpf90 mpxlf95 mpxlf_r -do - # Extract the first word of "$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_MPIF90+set}" = set; then +if test x = x"$MPI_LIB"; then + echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 +echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 +if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 else - if test -n "$MPIF90"; then - ac_cv_prog_MPIF90="$MPIF90" # Let the user override the test. + ac_check_lib_save_LIBS=$LIBS +LIBS="-lmpi $LIBS" +cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ + +/* Override any gcc2 internal prototype to avoid an error. */ +#ifdef __cplusplus +extern "C" +#endif +/* We use char because int might match the return type of a gcc2 + builtin and then its argument prototype would still apply. */ +char MPI_Init (); +int +main () +{ +MPI_Init (); + ; + return 0; +} +_ACEOF +rm -f conftest.$ac_objext conftest$ac_exeext +if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 + (eval $ac_link) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); } && + { ac_try='test -s conftest$ac_exeext' + { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 + (eval $ac_try) 2>&5 + ac_status=$? + echo "$as_me:$LINENO: \$? = $ac_status" >&5 + (exit $ac_status); }; }; then + ac_cv_lib_mpi_MPI_Init=yes else -as_save_IFS=$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_MPIF90="$ac_prog" - echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi -done -done + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 +ac_cv_lib_mpi_MPI_Init=no fi +rm -f conftest.$ac_objext conftest$ac_exeext conftest.$ac_ext +LIBS=$ac_check_lib_save_LIBS fi -MPIF90=$ac_cv_prog_MPIF90 -if test -n "$MPIF90"; then - echo "$as_me:$LINENO: result: $MPIF90" >&5 -echo "${ECHO_T}$MPIF90" >&6 -else - echo "$as_me:$LINENO: result: no" >&5 -echo "${ECHO_T}no" >&6 +echo "$as_me:$LINENO: result: $ac_cv_lib_mpi_MPI_Init" >&5 +echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 +if test $ac_cv_lib_mpi_MPI_Init = yes; then + MPI_LIB="-lmpi" fi - test -n "$MPIF90" && break -done -test -n "$MPIF90" || MPIF90="$F90" +fi +if test x = x"$MPI_LIB"; then + echo "$as_me:$LINENO: checking for MPI_Init in -lmpich" >&5 +echo $ECHO_N "checking for MPI_Init in -lmpich... $ECHO_C" >&6 +if test "${ac_cv_lib_mpich_MPI_Init+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + ac_check_lib_save_LIBS=$LIBS +LIBS="-lmpich $LIBS" +cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ - acx_mpi_save_F90="$F90" - F90="$MPIF90" - - - -if test x = x"$MPILIBS"; then - echo "$as_me:$LINENO: checking for MPI_Init" >&5 -echo $ECHO_N "checking for MPI_Init... $ECHO_C" >&6 - cat >conftest.$ac_ext <<_ACEOF - -program main - - call MPI_Init -end program main - +/* Override any gcc2 internal prototype to avoid an error. */ +#ifdef __cplusplus +extern "C" +#endif +/* We use char because int might match the return type of a gcc2 + builtin and then its argument prototype would still apply. */ +char MPI_Init (); +int +main () +{ +MPI_Init (); + ; + return 0; +} _ACEOF rm -f conftest.$ac_objext conftest$ac_exeext if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 @@ -5704,33 +5770,54 @@ if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 ac_status=$? echo "$as_me:$LINENO: \$? = $ac_status" >&5 (exit $ac_status); }; }; then - MPILIBS=" " - echo "$as_me:$LINENO: result: yes" >&5 -echo "${ECHO_T}yes" >&6 + ac_cv_lib_mpich_MPI_Init=yes else echo "$as_me: failed program was:" >&5 sed 's/^/| /' conftest.$ac_ext >&5 -echo "$as_me:$LINENO: result: no" >&5 -echo "${ECHO_T}no" >&6 +ac_cv_lib_mpich_MPI_Init=no fi rm -f conftest.$ac_objext conftest$ac_exeext conftest.$ac_ext +LIBS=$ac_check_lib_save_LIBS fi -if test x = x"$MPILIBS"; then +echo "$as_me:$LINENO: result: $ac_cv_lib_mpich_MPI_Init" >&5 +echo "${ECHO_T}$ac_cv_lib_mpich_MPI_Init" >&6 +if test $ac_cv_lib_mpich_MPI_Init = yes; then + MPI_LIB="-lmpich" +fi + +fi +$as_unset ac_cv_lib_mpi_MPI_Init +if test x = x"$MPI_LIB"; then echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 else ac_check_lib_save_LIBS=$LIBS -LIBS="-lmpi $LIBS" +LIBS="-lmpi "-llam" $LIBS" cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ -program main - -call MPI_Init -end program main - +/* Override any gcc2 internal prototype to avoid an error. */ +#ifdef __cplusplus +extern "C" +#endif +/* We use char because int might match the return type of a gcc2 + builtin and then its argument prototype would still apply. */ +char MPI_Init (); +int +main () +{ +MPI_Init (); + ; + return 0; +} _ACEOF rm -f conftest.$ac_objext conftest$ac_exeext if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 @@ -5757,25 +5844,42 @@ if test $ac_cv_lib_mpi_MPI_Init = yes; then echo "$as_me:$LINENO: result: $ac_cv_lib_mpi_MPI_Init" >&5 echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 if test $ac_cv_lib_mpi_MPI_Init = yes; then - MPILIBS="-lmpi" + MPI_LIB="-lmpi -llam" fi fi -if test x = x"$MPILIBS"; then - echo "$as_me:$LINENO: checking for MPI_Init in -lmpich" >&5 -echo $ECHO_N "checking for MPI_Init in -lmpich... $ECHO_C" >&6 -if test "${ac_cv_lib_mpich_MPI_Init+set}" = set; then + +$as_unset ac_cv_lib_mpi_MPI_Init +if test x = x"$MPI_LIB"; then +echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 +echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 +if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 else ac_check_lib_save_LIBS=$LIBS -LIBS="-lmpich $LIBS" +LIBS="-lmpi -llam -lpthread $LIBS" cat >conftest.$ac_ext <<_ACEOF +#line $LINENO "configure" +/* confdefs.h. */ +_ACEOF +cat confdefs.h >>conftest.$ac_ext +cat >>conftest.$ac_ext <<_ACEOF +/* end confdefs.h. */ -program main - -call MPI_Init -end program main - +/* Override any gcc2 internal prototype to avoid an error. */ +#ifdef __cplusplus +extern "C" +#endif +/* We use char because int might match the return type of a gcc2 + builtin and then its argument prototype would still apply. */ +char MPI_Init (); +int +main () +{ +MPI_Init (); + ; + return 0; +} _ACEOF rm -f conftest.$ac_objext conftest$ac_exeext if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 @@ -5789,44 +5893,51 @@ if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 ac_status=$? echo "$as_me:$LINENO: \$? = $ac_status" >&5 (exit $ac_status); }; }; then - ac_cv_lib_mpich_MPI_Init=yes + ac_cv_lib_mpi_MPI_Init=yes else echo "$as_me: failed program was:" >&5 sed 's/^/| /' conftest.$ac_ext >&5 -ac_cv_lib_mpich_MPI_Init=no +ac_cv_lib_mpi_MPI_Init=no fi rm -f conftest.$ac_objext conftest$ac_exeext conftest.$ac_ext LIBS=$ac_check_lib_save_LIBS fi -echo "$as_me:$LINENO: result: $ac_cv_lib_mpich_MPI_Init" >&5 -echo "${ECHO_T}$ac_cv_lib_mpich_MPI_Init" >&6 -if test $ac_cv_lib_mpich_MPI_Init = yes; then - MPILIBS="-lmpich" +echo "$as_me:$LINENO: result: $ac_cv_lib_mpi_MPI_Init" >&5 +echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 +if test $ac_cv_lib_mpi_MPI_Init = yes; then + MPI_LIB="-lmpi -llam -lpthread" +else + + { { echo "$as_me:$LINENO: error: Didn't find liblam, libmpi, or libmpich; check path for MPI package first..." >&5 +echo "$as_me: error: Didn't find liblam, libmpi, or libmpich; check path for MPI package first..." >&2;} + { (exit 1); exit 1; }; } + USE_MPI="no" + fi fi -F90="$acx_mpi_save_F90" - - - -# Finally, execute ACTION-IF-FOUND/ACTION-IF-NOT-FOUND: -if test x = x"$MPILIBS"; then - - : +echo "$as_me:$LINENO: checking for MPI Fortran library" >&5 +echo $ECHO_N "checking for MPI Fortran library... $ECHO_C" >&6 +MPI_F90_LIB="" +if test -f "$MPI_LIB_DIR/libfmpich.a" ; then + MPI_F90_LIB="-lfmpich" +elif test -f "$MPI_LIB_DIR/liblamf77mpi.a" ; then + MPI_F90_LIB="-llamf77mpi" else + MPI_F90_LIB=" " +fi +echo "$as_me:$LINENO: result: found $MPI_F90_LIB" >&5 +echo "${ECHO_T}found $MPI_F90_LIB" >&6 -cat >>confdefs.h <<\_ACEOF -#define HAVE_MPI 1 -_ACEOF - : fi + ac_ext=c ac_cpp='$CPP $CPPFLAGS' ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' @@ -6573,10 +6684,11 @@ fi CPPFLAGS=$ac_save_CPPFLAGS LDFLAGS=$ac_save_LDFLAGS - ac_ext=f90 -ac_compile='$F90 -c $F90FLAGS conftest.$ac_ext >&5' -ac_link='$F90 -o conftest$ac_exeext $F90FLAGS $LD90FLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -ac_compiler_gnu=$ac_cv_f90_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 x_$HAVE_SPRNG != x_yes; then @@ -6597,7 +6709,7 @@ echo "${ECHO_T}yes" >&6 withval="$with_mkl" echo "$as_me:$LINENO: result: yes" >&5 echo "${ECHO_T}yes" >&6 - for dir in $withval /usr/local/intel/mkl60 /opt/intel/mkl60; do + for dir in $withval /usr/local/intel/mkl61 /opt/intel/mkl61; do mkldir="$dir" if test -f "$dir/include/mkl.h"; then found_mkl="yes"; @@ -6823,10 +6935,11 @@ fi CPPFLAGS=$ac_save_CPPFLAGS LDFLAGS=$ac_save_LDFLAGS - ac_ext=f90 -ac_compile='$F90 -c $F90FLAGS conftest.$ac_ext >&5' -ac_link='$F90 -o conftest$ac_exeext $F90FLAGS $LD90FLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -ac_compiler_gnu=$ac_cv_f90_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 x_$HAVE_MKL != x_yes; then @@ -6850,102 +6963,6 @@ fi; -# Check whether --with-mpi_f90_mods or --without-mpi_f90_mods was given. -if test "${with_mpi_f90_mods+set}" = set; then - withval="$with_mpi_f90_mods" - mpi_f90_mods="$withval" -else - mpi_f90_mods="/usr/local/include/f90choice" -fi; - - echo "$as_me:$LINENO: checking for MPI F90 modules" >&5 -echo $ECHO_N "checking for MPI F90 modules... $ECHO_C" >&6 - - - ac_ext=f90 -ac_compile='$F90 -c $F90FLAGS conftest.$ac_ext >&5' -ac_link='$F90 -o conftest$ac_exeext $F90FLAGS $LD90FLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -ac_compiler_gnu=$ac_cv_f90_compiler_gnu - - ac_save_F90FLAGS=$F90FLAGS - - if test "$mpi_f90_mods"; then - F90FLAGS="${F90FLAGS} ${MODDIRFLAG}${mpi_f90_mods}" -fi - - cat >conftest.$ac_ext <<_ACEOF - - -program main - -use mpi -integer :: ierr -call MPI_Init(ierr) - - -end program main - -_ACEOF -rm -f conftest.$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 $ac_status); }; }; then - HAVE_MPI_MOD=1 -else - echo "$as_me: failed program was:" >&5 -sed 's/^/| /' conftest.$ac_ext >&5 - -HAVE_MPI_MOD=0 -fi -rm -f conftest.$ac_objext conftest.$ac_ext - - F90FLAGS=$ac_save_F90FLAGS - ac_ext=f90 -ac_compile='$F90 -c $F90FLAGS conftest.$ac_ext >&5' -ac_link='$F90 -o conftest$ac_exeext $F90FLAGS $LD90FLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -ac_compiler_gnu=$ac_cv_f90_compiler_gnu - - - if test "$HAVE_MPI_MOD" = 1; then - echo "$as_me:$LINENO: result: yes" >&5 -echo "${ECHO_T}yes" >&6 - -cat >>confdefs.h <<\_ACEOF -#define MPI_MOD 1 -_ACEOF - - MPI_F90_MODS="${mpi_f90_mods}" - - # The library name: - if test -z "$MPI_LIB" ; then - MPI_LIBNAME=-lmpich - else - MPI_LIBNAME="$MPI_LIB" - fi - if test -z "$MPIMODLIBNAME" ; then - MPIMODLIBNAME="${MPI_LIBNAME}f90" - fi - - else - echo "$as_me:$LINENO: result: no" >&5 -echo "${ECHO_T}no" >&6 - { { echo "$as_me:$LINENO: error: Couldn't locate MPI F90 Modules" >&5 -echo "$as_me: error: Couldn't locate MPI F90 Modules" >&2;} - { (exit 1); exit 1; }; } - fi - - - - - OBJEXT=".$OBJEXT" OOPSE=oopse @@ -6969,7 +6986,7 @@ SUBDIRS="libBASS libmdtools src forceFields samples ut MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" -SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" +SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party " CFLAGS=${CFLAGS-""} CXXFLAGS=${CXXFLAGS-""} @@ -7004,9 +7021,9 @@ esac - ac_config_headers="$ac_config_headers libmdtools/config.h" + ac_config_headers="$ac_config_headers libBASS/config.h libmdtools/config.h" - ac_config_files="$ac_config_files Makefile libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile staticProps/Makefile samples/alkane/Makefile samples/argon/Makefile samples/beadLipid/Makefile samples/lipid/Makefile samples/metals/Makefile samples/water/Makefile" + ac_config_files="$ac_config_files Makefile libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile staticProps/Makefile third-party/Makefile samples/alkane/Makefile samples/argon/Makefile samples/beadLipid/Makefile samples/lipid/Makefile samples/metals/Makefile samples/water/Makefile" cat >confcache <<\_ACEOF @@ -7542,12 +7559,14 @@ do "forceFields/Makefile" ) CONFIG_FILES="$CONFIG_FILES forceFields/Makefile" ;; "samples/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/Makefile" ;; "staticProps/Makefile" ) CONFIG_FILES="$CONFIG_FILES staticProps/Makefile" ;; + "third-party/Makefile" ) CONFIG_FILES="$CONFIG_FILES third-party/Makefile" ;; "samples/alkane/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/alkane/Makefile" ;; "samples/argon/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/argon/Makefile" ;; "samples/beadLipid/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/beadLipid/Makefile" ;; "samples/lipid/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/lipid/Makefile" ;; "samples/metals/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/metals/Makefile" ;; "samples/water/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/Makefile" ;; + "libBASS/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libBASS/config.h" ;; "libmdtools/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libmdtools/config.h" ;; *) { { echo "$as_me:$LINENO: error: invalid argument: $ac_config_target" >&5 echo "$as_me: error: invalid argument: $ac_config_target" >&2;} @@ -7679,13 +7698,12 @@ s,@mpi_dir@,$mpi_dir,;t t s,@LEXLIB@,$LEXLIB,;t t s,@LEX_OUTPUT_ROOT@,$LEX_OUTPUT_ROOT,;t t s,@AR@,$AR,;t t -s,@mpi_dir@,$mpi_dir,;t t -s,@MPI_LIBDIR@,$MPI_LIBDIR,;t t -s,@MPI_INC@,$MPI_INC,;t t +s,@MPI_LIB_DIR@,$MPI_LIB_DIR,;t t +s,@MPI_INC_DIR@,$MPI_INC_DIR,;t t +s,@MPI_F90_INC@,$MPI_F90_INC,;t t s,@MPI_LIB@,$MPI_LIB,;t t -s,@MPIF77@,$MPIF77,;t t -s,@MPIF90@,$MPIF90,;t t -s,@MPILIBS@,$MPILIBS,;t t +s,@MPI_F90_LIB@,$MPI_F90_LIB,;t t +s,@USE_MPI@,$USE_MPI,;t t s,@CPP@,$CPP,;t t s,@EGREP@,$EGREP,;t t s,@SPRNG_LIBDIR@,$SPRNG_LIBDIR,;t t @@ -7696,8 +7714,6 @@ s,@MPI_F90_MODS@,$MPI_F90_MODS,;t t s,@MKL_LIB@,$MKL_LIB,;t t s,@MKL_INC@,$MKL_INC,;t t s,@HAVE_MKL@,$HAVE_MKL,;t t -s,@MPI_F90_MODS@,$MPI_F90_MODS,;t t -s,@MPIMODLIBNAME@,$MPIMODLIBNAME,;t t s,@BATEXT@,$BATEXT,;t t s,@MKINSTALLDIRS@,$MKINSTALLDIRS,;t t s,@OOPSE@,$OOPSE,;t t