| 32 |
|
AC_PROG_CC([icc xlc gcc cc]) |
| 33 |
|
|
| 34 |
|
dnl Checks for C++ compiler |
| 35 |
< |
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
| 35 |
> |
AC_PROG_CXX([icpc icc xlc++ xlC CC g++ c++]) |
| 36 |
|
|
| 37 |
|
dnl If we are not running g++ then we might need some other flags |
| 38 |
|
dnl to get the templates compiled correctly |
| 123 |
|
exit 1 |
| 124 |
|
fi |
| 125 |
|
|
| 126 |
< |
AC_MSG_CHECKING([for mpi-directory]) |
| 126 |
> |
|
| 127 |
|
AC_ARG_WITH(mpi, |
| 128 |
< |
[ --with-mpi=MPIDIR give the path for MPI [/usr/local]], |
| 129 |
< |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
| 130 |
< |
AC_MSG_RESULT([$MPI_DIR]) |
| 131 |
< |
AC_SUBST([mpi]) |
| 128 |
> |
[AC_HELP_STRING([--with-mpi=<prefix>], |
| 129 |
> |
[compile with MPI libraries in <prefix> [default=no]])], |
| 130 |
> |
with_mpi=$withval, |
| 131 |
> |
with_mpi="no") |
| 132 |
|
|
| 133 |
< |
AC_MSG_CHECKING([for mpi-lib-directory]) |
| 134 |
< |
AC_ARG_WITH(mpi_libdir, |
| 135 |
< |
[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
| 136 |
< |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
| 137 |
< |
AC_MSG_RESULT([$MPI_LIBDIR]) |
| 138 |
< |
AC_SUBST([MPI_LIBDIR]) |
| 139 |
< |
|
| 140 |
< |
AC_MSG_CHECKING([for mpi-inc-directory]) |
| 141 |
< |
AC_ARG_WITH(mpi-inc, |
| 142 |
< |
[ --with-mpi-inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
| 143 |
< |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
| 144 |
< |
AC_MSG_RESULT([$MPI_INC]) |
| 145 |
< |
AC_SUBST([MPI_INC]) |
| 146 |
< |
|
| 147 |
< |
AC_MSG_CHECKING([for mpi.h]) |
| 148 |
< |
HAVE_MPIDOTH_C="no" |
| 149 |
< |
echo '#include <mpi.h>' > conftest.cc |
| 150 |
< |
if test -z "`${CXX} -I${MPI_INC} -c conftest.cc 2>&1`"; then |
| 151 |
< |
AC_MSG_RESULT(yes) |
| 152 |
< |
HAVE_MPIDOTH_C="yes" |
| 153 |
< |
else |
| 154 |
< |
AC_MSG_RESULT(no! Check MPI include paths) |
| 155 |
< |
fi |
| 156 |
< |
rm -f conftest* |
| 157 |
< |
|
| 158 |
< |
AC_MSG_CHECKING([whether mpif.h is usable]) |
| 159 |
< |
HAVE_MPIFDOTH_F90="no" |
| 160 |
< |
rm -f conftest* |
| 161 |
< |
cat >conftest.f90 <<EOF |
| 162 |
< |
program main |
| 163 |
< |
include 'mpif.h' |
| 164 |
< |
end |
| 165 |
< |
EOF |
| 166 |
< |
if $F90 -I$MPI_INC -c conftest.f90 > conftest.out 2>&1 ; then |
| 167 |
< |
AC_MSG_RESULT(yes) |
| 168 |
< |
MPI_F90INC="$MPI_INC" |
| 169 |
< |
HAVE_MPIFDOTH_F90="yes" |
| 170 |
< |
else |
| 171 |
< |
if test -s conftest.out ; then cat conftest.out >> config.log ; fi |
| 172 |
< |
AC_MSG_RESULT([no! Check MPI include paths]) |
| 133 |
> |
case "x$with_mpi" in |
| 134 |
> |
xyes | "x") USE_MPI=yes;; |
| 135 |
> |
xno) USE_MPI=no ;; |
| 136 |
> |
*) MPI="$with_mpi"; USE_MPI=yes ;; |
| 137 |
> |
esac |
| 138 |
> |
if test "$USE_MPI" = "yes" -a -z "$with_mpi"; then |
| 139 |
> |
MPI="/usr/local" |
| 140 |
|
fi |
| 141 |
< |
rm -f conftest* |
| 142 |
< |
AC_SUBST([MPI_F90INC]) |
| 143 |
< |
|
| 177 |
< |
AC_LANG_PUSH(C) |
| 178 |
< |
ac_save_LDFLAGS=$LDFLAGS |
| 179 |
< |
LDFLAGS="${LDFLAGS} -L${MPI_LIBDIR} " |
| 180 |
< |
|
| 181 |
< |
if test x = x"$MPI_LIB"; then |
| 182 |
< |
AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi"]) |
| 141 |
> |
if test "$USE_MPI" = "yes"; then |
| 142 |
> |
echo "MPI = $MPI" |
| 143 |
> |
ACX_MPI |
| 144 |
|
fi |
| 145 |
< |
if test x = x"$MPI_LIB"; then |
| 185 |
< |
AC_CHECK_LIB(mpich, MPI_Init, [MPI_LIB="-lmpich"]) |
| 186 |
< |
fi |
| 187 |
< |
$as_unset ac_cv_lib_mpi_MPI_Init |
| 188 |
< |
if test x = x"$MPI_LIB"; then |
| 189 |
< |
AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam"], [], |
| 190 |
< |
"-llam") |
| 191 |
< |
fi |
| 145 |
> |
AC_SUBST(USE_MPI) |
| 146 |
|
|
| 193 |
– |
$as_unset ac_cv_lib_mpi_MPI_Init |
| 194 |
– |
if test x = x"$MPI_LIB"; then |
| 195 |
– |
AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam -lpthread"], |
| 196 |
– |
[AC_MSG_ERROR([Didn't find liblam, libmpi, or libmpich; check path for MPI package first...])], |
| 197 |
– |
[-llam -lpthread]) |
| 198 |
– |
fi |
| 147 |
|
|
| 200 |
– |
AC_MSG_RESULT(found $MPI_LIB) |
| 201 |
– |
AC_SUBST(MPI_LIB) |
| 202 |
– |
|
| 203 |
– |
AC_MSG_CHECKING([for MPI Fortran library]) |
| 204 |
– |
MPI_F90LIB="" |
| 205 |
– |
if test -f "$MPI_LIBDIR/libfmpich.a" ; then |
| 206 |
– |
MPI_F90LIB="-lfmpich" |
| 207 |
– |
elif test -f "$MPI_LIBDIR/liblamf77mpi.a" ; then |
| 208 |
– |
MPI_F90LIB="-llamf77mpi" |
| 209 |
– |
else |
| 210 |
– |
# nothing special found, we'll assume that the C library is all we need |
| 211 |
– |
MPI_F90LIB=" " |
| 212 |
– |
fi |
| 213 |
– |
AC_MSG_RESULT([found $MPI_F90LIB]) |
| 214 |
– |
AC_SUBST(MPI_F90LIB) |
| 215 |
– |
|
| 216 |
– |
dnl CHECK_MPI |
| 217 |
– |
|
| 218 |
– |
dnl I don't think this works right now: |
| 219 |
– |
dnl ACX_MPI |
| 220 |
– |
|
| 148 |
|
AM_PATH_SPRNG |
| 149 |
|
CHECK_MKL |
| 150 |
|
|
| 174 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 175 |
|
|
| 176 |
|
dnl **** Final list of subdirs |
| 177 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party" |
| 177 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party " |
| 178 |
|
|
| 179 |
|
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 180 |
|
CFLAGS=${CFLAGS-""} |
| 210 |
|
AC_SUBST(LDFLAGS) |
| 211 |
|
AC_SUBST(PREPFLAG) |
| 212 |
|
AC_SUBST(PREPDEFFLAG) |
| 213 |
< |
AC_CONFIG_HEADER([libmdtools/config.h]) |
| 213 |
> |
AC_CONFIG_HEADER([libBASS/config.h libmdtools/config.h]) |
| 214 |
|
AC_CONFIG_FILES([Makefile |
| 215 |
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
| 216 |
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
