| 311 |
|
# include <unistd.h> |
| 312 |
|
#endif" |
| 313 |
|
|
| 314 |
< |
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 F90 F90FLAGS ac_ct_F90 PREPFLAG PREPDEFFLAG INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA LN_S SET_MAKE RANLIB ac_ct_RANLIB YACC LEX LEXLIB LEX_OUTPUT_ROOT AR F90LIBS F90_FUNC F90_FUNC_ 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' |
| 314 |
> |
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 F90 F90FLAGS ac_ct_F90 PREPFLAG PREPDEFFLAG INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA LN_S SET_MAKE RANLIB ac_ct_RANLIB YACC LEX LEXLIB LEX_OUTPUT_ROOT AR F90LIBS F90_FUNC F90_FUNC_ 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' |
| 315 |
|
ac_subst_files='' |
| 316 |
|
|
| 317 |
|
# Initialize some variables set by options. |
| 874 |
|
Optional Packages: |
| 875 |
|
--with-PACKAGE[=ARG] use PACKAGE [ARG=yes] |
| 876 |
|
--without-PACKAGE do not use PACKAGE (same as --with-PACKAGE=no) |
| 877 |
< |
--with-mpi-dir=MPIDIR give the path for MPI /usr/local |
| 878 |
< |
--with-mpi-lib-dir=dir give the path for MPI-libraries MPI_DIR/lib |
| 879 |
< |
--with-mpi-inc-dir=dir give the path for MPI-include-files MPI_DIR/include |
| 880 |
< |
--with-sprng-prefix=PREFIX |
| 877 |
> |
--with-mpi_dir=MPIDIR give the path for MPI /usr/local |
| 878 |
> |
--with-mpi-libdir=dir give the path for MPI-libraries MPI_DIR/lib |
| 879 |
> |
--with-mpi_inc=dir give the path for MPI-include-files MPI_DIR/include |
| 880 |
> |
--with-sprng_prefix=PREFIX |
| 881 |
|
Prefix where SPRNG is installed |
| 882 |
< |
--with-sprng-lib=PREFIX SPRNG library directory |
| 882 |
> |
--with-sprng-libdir=PREFIX SPRNG library directory |
| 883 |
|
--with-sprng-include=PREFIX |
| 884 |
|
SPRNG include directory |
| 885 |
|
--with-mkl Do we want MKL will check /usr/local/intel/mkl60 /opt/intel/mkl60 |
| 2995 |
|
ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' |
| 2996 |
|
ac_compiler_gnu=$ac_cv_cxx_compiler_gnu |
| 2997 |
|
if test -n "$ac_tool_prefix"; then |
| 2998 |
< |
for ac_prog in $CCC icpc icc xlC g++ c++ |
| 2998 |
> |
for ac_prog in $CCC icpc icc xlC CC g++ c++ |
| 2999 |
|
do |
| 3000 |
|
# Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. |
| 3001 |
|
set dummy $ac_tool_prefix$ac_prog; ac_word=$2 |
| 3037 |
|
fi |
| 3038 |
|
if test -z "$CXX"; then |
| 3039 |
|
ac_ct_CXX=$CXX |
| 3040 |
< |
for ac_prog in $CCC icpc icc xlC g++ c++ |
| 3040 |
> |
for ac_prog in $CCC icpc icc xlC CC g++ c++ |
| 3041 |
|
do |
| 3042 |
|
# Extract the first word of "$ac_prog", so it can be a program name with args. |
| 3043 |
|
set dummy $ac_prog; ac_word=$2 |
| 3883 |
|
# Try to determine "good" native compiler flags if none specified on command |
| 3884 |
|
# line |
| 3885 |
|
|
| 3886 |
< |
if test "$ac_test_F90FLAGS" != "set"; then |
| 3886 |
> |
if test x"$F90FLAGS" == x ; then |
| 3887 |
|
F90FLAGS="" |
| 3888 |
|
case "${host_cpu}-${host_os}" in |
| 3889 |
|
|
| 5368 |
|
echo "$as_me:$LINENO: checking for mpi-directory" >&5 |
| 5369 |
|
echo $ECHO_N "checking for mpi-directory... $ECHO_C" >&6 |
| 5370 |
|
|
| 5371 |
< |
# Check whether --with-MPI_DIR or --without-MPI_DIR was given. |
| 5372 |
< |
if test "${with_MPI_DIR+set}" = set; then |
| 5373 |
< |
withval="$with_MPI_DIR" |
| 5371 |
> |
# Check whether --with-mpi_dir or --without-mpi_dir was given. |
| 5372 |
> |
if test "${with_mpi_dir+set}" = set; then |
| 5373 |
> |
withval="$with_mpi_dir" |
| 5374 |
|
MPI_DIR="$withval" |
| 5375 |
|
else |
| 5376 |
|
MPI_DIR="/usr/local" |
| 5382 |
|
echo "$as_me:$LINENO: checking for mpi-lib-directory" >&5 |
| 5383 |
|
echo $ECHO_N "checking for mpi-lib-directory... $ECHO_C" >&6 |
| 5384 |
|
|
| 5385 |
< |
# Check whether --with-MPI_LIBDIR or --without-MPI_LIBDIR was given. |
| 5386 |
< |
if test "${with_MPI_LIBDIR+set}" = set; then |
| 5387 |
< |
withval="$with_MPI_LIBDIR" |
| 5385 |
> |
# Check whether --with-mpi_libdir or --without-mpi_libdir was given. |
| 5386 |
> |
if test "${with_mpi_libdir+set}" = set; then |
| 5387 |
> |
withval="$with_mpi_libdir" |
| 5388 |
|
MPI_LIBDIR="$withval" |
| 5389 |
|
else |
| 5390 |
|
MPI_LIBDIR="$MPI_DIR/lib" |
| 5396 |
|
echo "$as_me:$LINENO: checking for mpi-inc-directory" >&5 |
| 5397 |
|
echo $ECHO_N "checking for mpi-inc-directory... $ECHO_C" >&6 |
| 5398 |
|
|
| 5399 |
< |
# Check whether --with-MPI_INC or --without-MPI_INC was given. |
| 5400 |
< |
if test "${with_MPI_INC+set}" = set; then |
| 5401 |
< |
withval="$with_MPI_INC" |
| 5399 |
> |
# Check whether --with-mpi_inc or --without-mpi_inc was given. |
| 5400 |
> |
if test "${with_mpi_inc+set}" = set; then |
| 5401 |
> |
withval="$with_mpi_inc" |
| 5402 |
|
MPI_INC="$withval" |
| 5403 |
|
else |
| 5404 |
|
MPI_INC="$MPI_DIR/include" |
| 6131 |
|
|
| 6132 |
|
|
| 6133 |
|
|
| 6134 |
< |
# Check whether --with-sprng-prefix or --without-sprng-prefix was given. |
| 6134 |
> |
# Check whether --with-sprng_prefix or --without-sprng_prefix was given. |
| 6135 |
|
if test "${with_sprng_prefix+set}" = set; then |
| 6136 |
|
withval="$with_sprng_prefix" |
| 6137 |
|
sprng_prefix="$withval" |
| 6139 |
|
sprng_prefix="/usr/local" |
| 6140 |
|
fi; |
| 6141 |
|
|
| 6142 |
< |
# Check whether --with-sprng-lib-prefix or --without-sprng-lib-prefix was given. |
| 6143 |
< |
if test "${with_sprng_lib_prefix+set}" = set; then |
| 6144 |
< |
withval="$with_sprng_lib_prefix" |
| 6145 |
< |
sprng_lib_prefix="$withval" |
| 6142 |
> |
# Check whether --with-sprng-libdir or --without-sprng-libdir was given. |
| 6143 |
> |
if test "${with_sprng_libdir+set}" = set; then |
| 6144 |
> |
withval="$with_sprng_libdir" |
| 6145 |
> |
sprng_libdir="$withval" |
| 6146 |
|
else |
| 6147 |
< |
sprng_lib_prefix="/usr/local/lib" |
| 6147 |
> |
sprng_libdir="/usr/local/lib" |
| 6148 |
|
fi; |
| 6149 |
|
|
| 6150 |
< |
# Check whether --with-sprng-include-prefix or --without-sprng-include-prefix was given. |
| 6151 |
< |
if test "${with_sprng_include_prefix+set}" = set; then |
| 6152 |
< |
withval="$with_sprng_include_prefix" |
| 6153 |
< |
sprng_include_prefix="$withval" |
| 6150 |
> |
# Check whether --with-sprng-include or --without-sprng-include was given. |
| 6151 |
> |
if test "${with_sprng_include+set}" = set; then |
| 6152 |
> |
withval="$with_sprng_include" |
| 6153 |
> |
sprng_include="$withval" |
| 6154 |
|
else |
| 6155 |
< |
sprng_include_prefix="/usr/local/include/sprng" |
| 6155 |
> |
sprng_include="/usr/local/include/sprng" |
| 6156 |
|
fi; |
| 6157 |
|
|
| 6158 |
< |
if test x$sprng_lib_prefix = x ; then |
| 6159 |
< |
sprng_lib_prefix=${sprng_prefix}/lib |
| 6158 |
> |
if test x$sprng_libdir = x ; then |
| 6159 |
> |
sprng_libdir=${sprng_prefix}/lib |
| 6160 |
|
fi |
| 6161 |
|
|
| 6162 |
< |
if test x$sprng_include_prefix = x ; then |
| 6163 |
< |
sprng_include_prefix=${sprng_prefix}/include |
| 6162 |
> |
if test x$sprng_include = x ; then |
| 6163 |
> |
sprng_include=${sprng_prefix}/include |
| 6164 |
|
fi |
| 6165 |
|
|
| 6166 |
< |
echo "$as_me:$LINENO: checking for SPRNG include files in $sprng_include_prefix" >&5 |
| 6167 |
< |
echo $ECHO_N "checking for SPRNG include files in $sprng_include_prefix... $ECHO_C" >&6 |
| 6168 |
< |
if test -f ${sprng_include_prefix}/sprng.h; then |
| 6166 |
> |
echo "$as_me:$LINENO: checking for SPRNG include files in $sprng_include" >&5 |
| 6167 |
> |
echo $ECHO_N "checking for SPRNG include files in $sprng_include... $ECHO_C" >&6 |
| 6168 |
> |
if test -f ${sprng_include}/sprng.h; then |
| 6169 |
|
have_sprngincl=yes |
| 6170 |
|
echo "$as_me:$LINENO: result: yes" >&5 |
| 6171 |
|
echo "${ECHO_T}yes" >&6 |
| 6178 |
|
{ (exit 1); exit 1; }; } |
| 6179 |
|
fi |
| 6180 |
|
|
| 6181 |
< |
echo "$as_me:$LINENO: checking for SPRNG libraries in $sprng_lib_prefix" >&5 |
| 6182 |
< |
echo $ECHO_N "checking for SPRNG libraries in $sprng_lib_prefix... $ECHO_C" >&6 |
| 6183 |
< |
if test -f ${sprng_lib_prefix}/libsprng.a; then |
| 6181 |
> |
echo "$as_me:$LINENO: checking for SPRNG libraries in $sprng_libdir" >&5 |
| 6182 |
> |
echo $ECHO_N "checking for SPRNG libraries in $sprng_libdir... $ECHO_C" >&6 |
| 6183 |
> |
if test -f ${sprng_libdir}/libsprng.a; then |
| 6184 |
|
have_sprnglib=yes |
| 6185 |
|
echo "$as_me:$LINENO: result: yes" >&5 |
| 6186 |
|
echo "${ECHO_T}yes" >&6 |
| 6202 |
|
ac_compiler_gnu=$ac_cv_c_compiler_gnu |
| 6203 |
|
|
| 6204 |
|
ac_save_CPPFLAGS=$CPPFLAGS |
| 6205 |
< |
CPPFLAGS="${CPPFLAGS} -I${sprng_include_prefix}" |
| 6205 |
> |
CPPFLAGS="${CPPFLAGS} -I${sprng_include}" |
| 6206 |
|
ac_save_LDFLAGS=$LDFLAGS |
| 6207 |
< |
LDFLAGS="${LDFLAGS} -L${sprng_lib_prefix} -lsprng" |
| 6207 |
> |
LDFLAGS="${LDFLAGS} -L${sprng_libdir} -lsprng" |
| 6208 |
|
if test "${ac_cv_header_sprng_h+set}" = set; then |
| 6209 |
|
echo "$as_me:$LINENO: checking for sprng.h" >&5 |
| 6210 |
|
echo $ECHO_N "checking for sprng.h... $ECHO_C" >&6 |
| 6391 |
|
echo "$as_me:$LINENO: result: $ac_cv_lib_sprng_init_rng" >&5 |
| 6392 |
|
echo "${ECHO_T}$ac_cv_lib_sprng_init_rng" >&6 |
| 6393 |
|
if test $ac_cv_lib_sprng_init_rng = yes; then |
| 6394 |
< |
SPRNG_LIBDIR="${sprng_lib_prefix}" |
| 6395 |
< |
SPRNG_LIB="-lsprng" SPRNG_INC="-I${sprng_include_prefix}" |
| 6394 |
> |
SPRNG_LIBDIR="${sprng_libdir}" |
| 6395 |
> |
SPRNG_LIB="-lsprng" SPRNG_INC="-I${sprng_include}" |
| 6396 |
|
HAVE_SPRNG="yes" |
| 6397 |
|
fi |
| 6398 |
|
|
| 6795 |
|
|
| 6796 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 6797 |
|
|
| 6798 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder" |
| 6798 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" |
| 6799 |
|
|
| 6800 |
< |
#CFLAGS=${CFLAGS-""} |
| 6801 |
< |
#CXXFLAGS=${CXXFLAGS-""} |
| 6802 |
< |
#CPPFLAGS=${CPPFLAGS-""} |
| 6803 |
< |
#FFLAGS=${FFLAGS-""} |
| 6804 |
< |
#LDFLAGS=${LDFLAGS-""} |
| 6805 |
< |
#OPTIMIZE=${OPTIMIZE-"-O"} |
| 6806 |
< |
#DEBUG=${DEBUG-"-g"} |
| 6800 |
> |
CFLAGS=${CFLAGS-""} |
| 6801 |
> |
CXXFLAGS=${CXXFLAGS-""} |
| 6802 |
> |
CPPFLAGS=${CPPFLAGS-""} |
| 6803 |
> |
FFLAGS=${FFLAGS-""} |
| 6804 |
> |
F90FLAGS=${F90FLAGS-""} |
| 6805 |
> |
LDFLAGS=${LDFLAGS-""} |
| 6806 |
> |
OPTIMIZE=${OPTIMIZE-"-O"} |
| 6807 |
> |
DEBUG=${DEBUG-"-g"} |
| 6808 |
|
|
| 6809 |
|
case $debug in |
| 6810 |
|
true) |
| 6839 |
|
|
| 6840 |
|
ac_config_headers="$ac_config_headers libmdtools/config.h" |
| 6841 |
|
|
| 6842 |
< |
ac_config_files="$ac_config_files Makefile libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile samples/alkane/Makefile samples/argon/Makefile samples/beadLipid/Makefile samples/lipid/Makefile samples/metals/Makefile samples/water/Makefile" |
| 6842 |
> |
ac_config_files="$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" |
| 6843 |
|
|
| 6844 |
|
|
| 6845 |
|
cat >confcache <<\_ACEOF |
| 7374 |
|
"utils/sysbuilder/Makefile" ) CONFIG_FILES="$CONFIG_FILES utils/sysbuilder/Makefile" ;; |
| 7375 |
|
"forceFields/Makefile" ) CONFIG_FILES="$CONFIG_FILES forceFields/Makefile" ;; |
| 7376 |
|
"samples/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/Makefile" ;; |
| 7377 |
+ |
"staticProps/Makefile" ) CONFIG_FILES="$CONFIG_FILES staticProps/Makefile" ;; |
| 7378 |
|
"samples/alkane/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/alkane/Makefile" ;; |
| 7379 |
|
"samples/argon/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/argon/Makefile" ;; |
| 7380 |
|
"samples/beadLipid/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/beadLipid/Makefile" ;; |
| 7506 |
|
s,@F90LIBS@,$F90LIBS,;t t |
| 7507 |
|
s,@F90_FUNC@,$F90_FUNC,;t t |
| 7508 |
|
s,@F90_FUNC_@,$F90_FUNC_,;t t |
| 7509 |
< |
s,@MPI_DIR@,$MPI_DIR,;t t |
| 7509 |
> |
s,@mpi_dir@,$mpi_dir,;t t |
| 7510 |
|
s,@MPI_LIBDIR@,$MPI_LIBDIR,;t t |
| 7511 |
|
s,@MPI_INC@,$MPI_INC,;t t |
| 7512 |
|
s,@MPI_LIB@,$MPI_LIB,;t t |
