| 31 |
|
dnl Checks for programs. |
| 32 |
|
AC_PROG_CC([icc xlc gcc cc]) |
| 33 |
|
ACX_PROG_CC_MAXOPT |
| 34 |
< |
AC_PROG_CXX([icpc icc xlC g++ c++]) |
| 34 |
> |
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
| 35 |
|
ACX_PROG_CXX_MAXOPT |
| 36 |
|
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
| 37 |
|
ACX_PROG_F90_MAXOPT |
| 59 |
|
AC_SUBST(F90_FUNC_) |
| 60 |
|
|
| 61 |
|
AC_MSG_CHECKING([for mpi-directory]) |
| 62 |
< |
AC_ARG_WITH(MPI_DIR, |
| 63 |
< |
[ --with-mpi-dir=MPIDIR give the path for MPI [/usr/local]], |
| 62 |
> |
AC_ARG_WITH(mpi_dir, |
| 63 |
> |
[ --with-mpi_dir=MPIDIR give the path for MPI [/usr/local]], |
| 64 |
|
MPI_DIR="$withval", MPI_DIR="/usr/local") |
| 65 |
|
AC_MSG_RESULT([$MPI_DIR]) |
| 66 |
< |
AC_SUBST([MPI_DIR]) |
| 66 |
> |
AC_SUBST([mpi_dir]) |
| 67 |
|
|
| 68 |
|
AC_MSG_CHECKING([for mpi-lib-directory]) |
| 69 |
< |
AC_ARG_WITH(MPI_LIBDIR, |
| 70 |
< |
[ --with-mpi-lib-dir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
| 69 |
> |
AC_ARG_WITH(mpi_libdir, |
| 70 |
> |
[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
| 71 |
|
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
| 72 |
|
AC_MSG_RESULT([$MPI_LIBDIR]) |
| 73 |
|
AC_SUBST([MPI_LIBDIR]) |
| 74 |
|
|
| 75 |
|
AC_MSG_CHECKING([for mpi-inc-directory]) |
| 76 |
< |
AC_ARG_WITH(MPI_INC, |
| 77 |
< |
[ --with-mpi-inc-dir=dir give the path for MPI-include-files [MPI_DIR/include]], |
| 76 |
> |
AC_ARG_WITH(mpi_inc, |
| 77 |
> |
[ --with-mpi_inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
| 78 |
|
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
| 79 |
|
AC_MSG_RESULT([$MPI_INC]) |
| 80 |
|
AC_SUBST([MPI_INC]) |
| 128 |
|
CHECK_MKL |
| 129 |
|
AC_CHECK_MPI_F90MOD |
| 130 |
|
|
| 131 |
– |
case $F90 in |
| 132 |
– |
ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' ;; |
| 133 |
– |
*) fortran_machine_defs='' ;; |
| 134 |
– |
esac |
| 135 |
– |
AC_SUBST([fortran_machine_defs]) |
| 136 |
– |
|
| 131 |
|
AC_EXEEXT |
| 132 |
|
AC_OBJEXT |
| 133 |
|
OBJEXT=".$OBJEXT" |
| 153 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 154 |
|
|
| 155 |
|
dnl **** Final list of subdirs |
| 156 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder" |
| 156 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" |
| 157 |
|
|
| 158 |
|
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 159 |
< |
#CFLAGS=${CFLAGS-""} |
| 160 |
< |
#CXXFLAGS=${CXXFLAGS-""} |
| 161 |
< |
#CPPFLAGS=${CPPFLAGS-""} |
| 162 |
< |
#FFLAGS=${FFLAGS-""} |
| 163 |
< |
#LDFLAGS=${LDFLAGS-""} |
| 164 |
< |
#OPTIMIZE=${OPTIMIZE-"-O"} |
| 165 |
< |
#DEBUG=${DEBUG-"-g"} |
| 159 |
> |
CFLAGS=${CFLAGS-""} |
| 160 |
> |
CXXFLAGS=${CXXFLAGS-""} |
| 161 |
> |
CPPFLAGS=${CPPFLAGS-""} |
| 162 |
> |
FFLAGS=${FFLAGS-""} |
| 163 |
> |
F90FLAGS=${F90FLAGS-""} |
| 164 |
> |
LDFLAGS=${LDFLAGS-""} |
| 165 |
> |
OPTIMIZE=${OPTIMIZE-"-O"} |
| 166 |
> |
DEBUG=${DEBUG-"-g"} |
| 167 |
|
|
| 168 |
|
case $debug in |
| 169 |
|
true) |
| 200 |
|
AC_CONFIG_FILES([Makefile |
| 201 |
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
| 202 |
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
| 203 |
+ |
staticProps/Makefile |
| 204 |
|
samples/alkane/Makefile samples/argon/Makefile |
| 205 |
|
samples/beadLipid/Makefile samples/lipid/Makefile |
| 206 |
|
samples/metals/Makefile samples/water/Makefile |
