| 69 |
|
echo 'void f(){}' > conftest.cc |
| 70 |
|
if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then |
| 71 |
|
AC_MSG_RESULT(yes) |
| 72 |
+ |
|
| 73 |
+ |
|
| 74 |
|
EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" |
| 75 |
|
else |
| 76 |
|
AC_MSG_RESULT(no) |
| 83 |
|
|
| 84 |
|
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
| 85 |
|
dnl Check the flag for Fortran90 preprocessing |
| 86 |
< |
ACX_PROG_F90_PREPFLAG |
| 86 |
> |
dnl ACX_PROG_F90_PREPFLAG |
| 87 |
|
dnl Check to see if a flag is required for preprocessing defines |
| 88 |
|
ACX_PROG_F90_PREPDEFFLAG |
| 89 |
|
AC_LANG_PUSH(Fortran 90) |
| 173 |
|
AC_MSG_RESULT(found $MPI_LIB) |
| 174 |
|
;; |
| 175 |
|
*) dnl All other machines |
| 176 |
< |
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
| 177 |
< |
MPI_LIB="-lmpi" |
| 176 |
> |
if test -f "$MPI_LIBDIR/libmpich.a" ; then |
| 177 |
> |
MPI_LIB="-lmpich" |
| 178 |
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
| 179 |
|
MPI_LIB="-lmpi" |
| 180 |
< |
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
| 181 |
< |
MPI_LIB="-lmpich" |
| 180 |
> |
elif test -f "$MPI_LIBDIR/libmpi.a" ; then |
| 181 |
> |
MPI_LIB="-lmpi" |
| 182 |
|
else |
| 183 |
|
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
| 184 |
|
fi |
| 189 |
|
|
| 190 |
|
ACX_MPI |
| 191 |
|
|
| 192 |
+ |
AC_CHECK_MPI_F90MOD |
| 193 |
+ |
|
| 194 |
+ |
if test "$HAVE_MPI_MOD" = 1; then |
| 195 |
+ |
AC_DEFINE(MPI_MOD, 1, [have mpi module]) |
| 196 |
+ |
else |
| 197 |
+ |
AC_LANG([Fortran 90]) |
| 198 |
+ |
AC_CHECK_HEADERS(mpif.h) |
| 199 |
+ |
AC_LANG_RESTORE() |
| 200 |
+ |
AC_DEFINE(MPI_H, 1, [have mpi Fortran header file]) |
| 201 |
+ |
fi |
| 202 |
+ |
|
| 203 |
|
AM_PATH_SPRNG |
| 204 |
|
CHECK_MKL |
| 205 |
|
|
| 193 |
– |
AC_CHECK_MPI_F90MOD |
| 206 |
|
|
| 207 |
|
AC_EXEEXT |
| 208 |
|
AC_OBJEXT |
| 229 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 230 |
|
|
| 231 |
|
dnl **** Final list of subdirs |
| 232 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" |
| 232 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party" |
| 233 |
|
|
| 234 |
|
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 235 |
|
CFLAGS=${CFLAGS-""} |
| 270 |
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
| 271 |
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
| 272 |
|
staticProps/Makefile |
| 273 |
+ |
third-party/Makefile |
| 274 |
|
samples/alkane/Makefile samples/argon/Makefile |
| 275 |
|
samples/beadLipid/Makefile samples/lipid/Makefile |
| 276 |
|
samples/metals/Makefile samples/water/Makefile |
