6781 |
|
LDFLAGS="${LDFLAGS} -L${MPI_LIB_DIR} " |
6782 |
|
|
6783 |
|
if test x = x"$MPI_LIB"; then |
6784 |
< |
echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 |
6785 |
< |
echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 |
6786 |
< |
if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then |
6784 |
> |
echo "$as_me:$LINENO: checking for MPI_Init in -lmpich" >&5 |
6785 |
> |
echo $ECHO_N "checking for MPI_Init in -lmpich... $ECHO_C" >&6 |
6786 |
> |
if test "${ac_cv_lib_mpich_MPI_Init+set}" = set; then |
6787 |
|
echo $ECHO_N "(cached) $ECHO_C" >&6 |
6788 |
|
else |
6789 |
|
ac_check_lib_save_LIBS=$LIBS |
6790 |
< |
LIBS="-lmpi $LIBS" |
6790 |
> |
LIBS="-lmpich $LIBS" |
6791 |
|
cat >conftest.$ac_ext <<_ACEOF |
6792 |
|
/* confdefs.h. */ |
6793 |
|
_ACEOF |
6832 |
|
ac_status=$? |
6833 |
|
echo "$as_me:$LINENO: \$? = $ac_status" >&5 |
6834 |
|
(exit $ac_status); }; }; then |
6835 |
< |
ac_cv_lib_mpi_MPI_Init=yes |
6835 |
> |
ac_cv_lib_mpich_MPI_Init=yes |
6836 |
|
else |
6837 |
|
echo "$as_me: failed program was:" >&5 |
6838 |
|
sed 's/^/| /' conftest.$ac_ext >&5 |
6839 |
|
|
6840 |
< |
ac_cv_lib_mpi_MPI_Init=no |
6840 |
> |
ac_cv_lib_mpich_MPI_Init=no |
6841 |
|
fi |
6842 |
|
rm -f conftest.err conftest.$ac_objext \ |
6843 |
|
conftest$ac_exeext conftest.$ac_ext |
6844 |
|
LIBS=$ac_check_lib_save_LIBS |
6845 |
|
fi |
6846 |
< |
echo "$as_me:$LINENO: result: $ac_cv_lib_mpi_MPI_Init" >&5 |
6847 |
< |
echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 |
6848 |
< |
if test $ac_cv_lib_mpi_MPI_Init = yes; then |
6849 |
< |
MPI_LIB="-lmpi" |
6846 |
> |
echo "$as_me:$LINENO: result: $ac_cv_lib_mpich_MPI_Init" >&5 |
6847 |
> |
echo "${ECHO_T}$ac_cv_lib_mpich_MPI_Init" >&6 |
6848 |
> |
if test $ac_cv_lib_mpich_MPI_Init = yes; then |
6849 |
> |
MPI_LIB="-lmpich" |
6850 |
|
fi |
6851 |
|
|
6852 |
|
fi |
6853 |
|
if test x = x"$MPI_LIB"; then |
6854 |
< |
echo "$as_me:$LINENO: checking for MPI_Init in -lmpich" >&5 |
6855 |
< |
echo $ECHO_N "checking for MPI_Init in -lmpich... $ECHO_C" >&6 |
6856 |
< |
if test "${ac_cv_lib_mpich_MPI_Init+set}" = set; then |
6854 |
> |
echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 |
6855 |
> |
echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 |
6856 |
> |
if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then |
6857 |
|
echo $ECHO_N "(cached) $ECHO_C" >&6 |
6858 |
|
else |
6859 |
|
ac_check_lib_save_LIBS=$LIBS |
6860 |
< |
LIBS="-lmpich $LIBS" |
6860 |
> |
LIBS="-lmpi $LIBS" |
6861 |
|
cat >conftest.$ac_ext <<_ACEOF |
6862 |
|
/* confdefs.h. */ |
6863 |
|
_ACEOF |
6902 |
|
ac_status=$? |
6903 |
|
echo "$as_me:$LINENO: \$? = $ac_status" >&5 |
6904 |
|
(exit $ac_status); }; }; then |
6905 |
< |
ac_cv_lib_mpich_MPI_Init=yes |
6905 |
> |
ac_cv_lib_mpi_MPI_Init=yes |
6906 |
|
else |
6907 |
|
echo "$as_me: failed program was:" >&5 |
6908 |
|
sed 's/^/| /' conftest.$ac_ext >&5 |
6909 |
|
|
6910 |
< |
ac_cv_lib_mpich_MPI_Init=no |
6910 |
> |
ac_cv_lib_mpi_MPI_Init=no |
6911 |
|
fi |
6912 |
|
rm -f conftest.err conftest.$ac_objext \ |
6913 |
|
conftest$ac_exeext conftest.$ac_ext |
6914 |
|
LIBS=$ac_check_lib_save_LIBS |
6915 |
|
fi |
6916 |
< |
echo "$as_me:$LINENO: result: $ac_cv_lib_mpich_MPI_Init" >&5 |
6917 |
< |
echo "${ECHO_T}$ac_cv_lib_mpich_MPI_Init" >&6 |
6918 |
< |
if test $ac_cv_lib_mpich_MPI_Init = yes; then |
6919 |
< |
MPI_LIB="-lmpich" |
6916 |
> |
echo "$as_me:$LINENO: result: $ac_cv_lib_mpi_MPI_Init" >&5 |
6917 |
> |
echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 |
6918 |
> |
if test $ac_cv_lib_mpi_MPI_Init = yes; then |
6919 |
> |
MPI_LIB="-lmpi" |
6920 |
|
fi |
6921 |
|
|
6922 |
|
fi |
7537 |
|
|
7538 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
7539 |
|
|
7540 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party " |
7540 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder third-party " |
7541 |
|
|
7542 |
|
CFLAGS=${CFLAGS-""} |
7543 |
|
CXXFLAGS=${CXXFLAGS-""} |
7574 |
|
|
7575 |
|
ac_config_headers="$ac_config_headers libBASS/config.h libmdtools/config.h" |
7576 |
|
|
7577 |
< |
ac_config_files="$ac_config_files Makefile libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile staticProps/Makefile third-party/Makefile samples/alkane/Makefile samples/argon/Makefile samples/beadLipid/Makefile samples/lipid/Makefile samples/metals/Makefile samples/water/Makefile samples/water/dimer/Makefile samples/water/spce/Makefile samples/water/ssd/Makefile samples/water/ssde/Makefile samples/water/tip4p/Makefile" |
7577 |
> |
ac_config_files="$ac_config_files Makefile libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile third-party/Makefile samples/alkane/Makefile samples/argon/Makefile samples/beadLipid/Makefile samples/lipid/Makefile samples/metals/Makefile samples/water/Makefile samples/water/dimer/Makefile samples/water/spce/Makefile samples/water/ssd/Makefile samples/water/ssde/Makefile samples/water/tip4p/Makefile samples/water/tip3p_ice/Makefile" |
7578 |
|
|
7579 |
|
|
7580 |
|
cat >confcache <<\_ACEOF |
8113 |
|
"utils/sysbuilder/Makefile" ) CONFIG_FILES="$CONFIG_FILES utils/sysbuilder/Makefile" ;; |
8114 |
|
"forceFields/Makefile" ) CONFIG_FILES="$CONFIG_FILES forceFields/Makefile" ;; |
8115 |
|
"samples/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/Makefile" ;; |
8116 |
– |
"staticProps/Makefile" ) CONFIG_FILES="$CONFIG_FILES staticProps/Makefile" ;; |
8116 |
|
"third-party/Makefile" ) CONFIG_FILES="$CONFIG_FILES third-party/Makefile" ;; |
8117 |
|
"samples/alkane/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/alkane/Makefile" ;; |
8118 |
|
"samples/argon/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/argon/Makefile" ;; |
8125 |
|
"samples/water/ssd/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/ssd/Makefile" ;; |
8126 |
|
"samples/water/ssde/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/ssde/Makefile" ;; |
8127 |
|
"samples/water/tip4p/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/tip4p/Makefile" ;; |
8128 |
+ |
"samples/water/tip3p_ice/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/tip3p_ice/Makefile" ;; |
8129 |
|
"utils/getopt.h" ) CONFIG_LINKS="$CONFIG_LINKS utils/getopt.h:utils/gnugetopt.h" ;; |
8130 |
|
"libBASS/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libBASS/config.h" ;; |
8131 |
|
"libmdtools/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libmdtools/config.h" ;; |