123 |
|
exit 1 |
124 |
|
fi |
125 |
|
|
126 |
– |
ACX_MPI |
127 |
– |
dnl AC_MSG_CHECKING([for mpi-directory]) |
128 |
– |
dnl AC_ARG_WITH(mpi, |
129 |
– |
dnl [ --with-mpi=MPIDIR give the path for MPI [/usr/local]], |
130 |
– |
dnl MPI_DIR="$withval", MPI_DIR="/usr/local") |
131 |
– |
dnl AC_MSG_RESULT([$MPI_DIR]) |
132 |
– |
dnl AC_SUBST([mpi]) |
126 |
|
|
127 |
< |
dnl AC_MSG_CHECKING([for mpi-lib-directory]) |
128 |
< |
dnl AC_ARG_WITH(mpi_libdir, |
129 |
< |
dnl [ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
130 |
< |
dnl MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
131 |
< |
dnl AC_MSG_RESULT([$MPI_LIBDIR]) |
139 |
< |
dnl AC_SUBST([MPI_LIBDIR]) |
140 |
< |
dnl |
141 |
< |
dnl AC_MSG_CHECKING([for mpi-inc-directory]) |
142 |
< |
dnl AC_ARG_WITH(mpi-inc, |
143 |
< |
dnl [ --with-mpi-inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
144 |
< |
dnl MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
145 |
< |
dnl AC_MSG_RESULT([$MPI_INC]) |
146 |
< |
dnl AC_SUBST([MPI_INC]) |
147 |
< |
dnl |
148 |
< |
dnl AC_MSG_CHECKING([for mpi.h]) |
149 |
< |
dnl HAVE_MPIDOTH_C="no" |
150 |
< |
dnl echo '#include <mpi.h>' > conftest.cc |
151 |
< |
dnl if test -z "`${CXX} -I${MPI_INC} -c conftest.cc 2>&1`"; then |
152 |
< |
dnl AC_MSG_RESULT(yes) |
153 |
< |
dnl HAVE_MPIDOTH_C="yes" |
154 |
< |
dnl else |
155 |
< |
dnl AC_MSG_RESULT(no! Check MPI include paths) |
156 |
< |
dnl fi |
157 |
< |
dnl rm -f conftest* |
158 |
< |
dnl |
159 |
< |
dnl AC_MSG_CHECKING([whether mpif.h is usable]) |
160 |
< |
dnl HAVE_MPIFDOTH_F90="no" |
161 |
< |
dnl rm -f conftest* |
162 |
< |
dnl cat >conftest.f90 <<EOF |
163 |
< |
dnl program main |
164 |
< |
dnl include 'mpif.h' |
165 |
< |
dnl end |
166 |
< |
dnl EOF |
167 |
< |
dnl if $F90 -I$MPI_INC -c conftest.f90 > conftest.out 2>&1 ; then |
168 |
< |
dnl AC_MSG_RESULT(yes) |
169 |
< |
dnl MPI_F90INC="$MPI_INC" |
170 |
< |
dnl HAVE_MPIFDOTH_F90="yes" |
171 |
< |
dnl else |
172 |
< |
dnl if test -s conftest.out ; then cat conftest.out >> config.log ; fi |
173 |
< |
dnl AC_MSG_RESULT([no! Check MPI include paths]) |
174 |
< |
dnl fi |
175 |
< |
dnl rm -f conftest* |
176 |
< |
dnl AC_SUBST([MPI_F90INC]) |
177 |
< |
dnl |
178 |
< |
dnl AC_LANG_PUSH(C) |
179 |
< |
dnl ac_save_LDFLAGS=$LDFLAGS |
180 |
< |
dnl LDFLAGS="${LDFLAGS} -L${MPI_LIBDIR} " |
181 |
< |
dnl |
182 |
< |
dnl if test x = x"$MPI_LIB"; then |
183 |
< |
dnl AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi"]) |
184 |
< |
dnl fi |
185 |
< |
dnl if test x = x"$MPI_LIB"; then |
186 |
< |
dnl AC_CHECK_LIB(mpich, MPI_Init, [MPI_LIB="-lmpich"]) |
187 |
< |
dnl fi |
188 |
< |
dnl $as_unset ac_cv_lib_mpi_MPI_Init |
189 |
< |
dnl if test x = x"$MPI_LIB"; then |
190 |
< |
dnl AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam"], [], |
191 |
< |
dnl "-llam") |
192 |
< |
dnl fi |
193 |
< |
dnl |
194 |
< |
dnl $as_unset ac_cv_lib_mpi_MPI_Init |
195 |
< |
dnl if test x = x"$MPI_LIB"; then |
196 |
< |
dnl AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam -lpthread"], |
197 |
< |
dnl [AC_MSG_ERROR([Didn't find liblam, libmpi, or libmpich; check path for MPI package first...])], |
198 |
< |
dnl [-llam -lpthread]) |
199 |
< |
dnl fi |
200 |
< |
dnl |
201 |
< |
dnl AC_MSG_RESULT(found $MPI_LIB) |
202 |
< |
dnl AC_SUBST(MPI_LIB) |
203 |
< |
dnl |
204 |
< |
dnl AC_MSG_CHECKING([for MPI Fortran library]) |
205 |
< |
dnl MPI_F90LIB="" |
206 |
< |
dnl if test -f "$MPI_LIBDIR/libfmpich.a" ; then |
207 |
< |
dnl MPI_F90LIB="-lfmpich" |
208 |
< |
dnl elif test -f "$MPI_LIBDIR/liblamf77mpi.a" ; then |
209 |
< |
dnl MPI_F90LIB="-llamf77mpi" |
210 |
< |
dnl else |
211 |
< |
dnl # nothing special found, we'll assume that the C library is all we need |
212 |
< |
dnl MPI_F90LIB=" " |
213 |
< |
dnl fi |
214 |
< |
dnl AC_MSG_RESULT([found $MPI_F90LIB]) |
215 |
< |
dnl AC_SUBST(MPI_F90LIB) |
216 |
< |
dnl |
217 |
< |
dnl dnl CHECK_MPI |
218 |
< |
dnl |
219 |
< |
dnl ACX_MPI |
127 |
> |
AC_ARG_WITH(mpi, |
128 |
> |
[AC_HELP_STRING([--with-mpi=<prefix>], |
129 |
> |
[compile with MPI libraries in <prefix> [default=no]])], |
130 |
> |
with_mpi=$withval, |
131 |
> |
with_mpi="no") |
132 |
|
|
133 |
+ |
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 |
+ |
if test "$USE_MPI" = "yes"; then |
142 |
+ |
echo "MPI = $MPI" |
143 |
+ |
ACX_MPI |
144 |
+ |
fi |
145 |
+ |
AC_SUBST(USE_MPI) |
146 |
+ |
|
147 |
+ |
|
148 |
|
AM_PATH_SPRNG |
149 |
|
CHECK_MKL |
150 |
|
|
174 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
175 |
|
|
176 |
|
dnl **** Final list of subdirs |
177 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party shapes" |
177 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party " |
178 |
|
|
179 |
|
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
180 |
|
CFLAGS=${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 |
219 |
|
samples/alkane/Makefile samples/argon/Makefile |
220 |
|
samples/beadLipid/Makefile samples/lipid/Makefile |
221 |
|
samples/metals/Makefile samples/water/Makefile |
295 |
– |
shapes/Makefile |
222 |
|
]) |
223 |
|
|
224 |
|
AC_OUTPUT |