29 |
|
# who am i |
30 |
|
AC_CANONICAL_HOST |
31 |
|
|
32 |
< |
dnl Checks for programs. |
32 |
> |
dnl Checks for C compiler |
33 |
|
AC_PROG_CC([icc xlc gcc cc]) |
34 |
+ |
|
35 |
+ |
dnl Checks for C++ compiler |
36 |
|
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
37 |
+ |
dnl If we are not running g++ then we might need some other flags |
38 |
+ |
dnl to get the templates compiled correctly |
39 |
+ |
OOPSE_TEMPLATE_FLAGS="" |
40 |
+ |
if test $ac_cv_prog_gxx = no; then |
41 |
+ |
AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink]) |
42 |
+ |
echo 'void f(){}' > conftest.cc |
43 |
+ |
if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then |
44 |
+ |
AC_MSG_RESULT(yes) |
45 |
+ |
OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink" |
46 |
+ |
else |
47 |
+ |
AC_MSG_RESULT(no) |
48 |
+ |
fi |
49 |
+ |
rm -f conftest* |
50 |
+ |
AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static]) |
51 |
+ |
echo 'void f(){}' > conftest.cc |
52 |
+ |
if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then |
53 |
+ |
AC_MSG_RESULT(yes) |
54 |
+ |
OOPSE_TEMPLATE_FLAGS="-instances=static" |
55 |
+ |
else |
56 |
+ |
AC_MSG_RESULT(no) |
57 |
+ |
fi |
58 |
+ |
rm -f conftest* |
59 |
+ |
AC_MSG_CHECKING([checking whether ${CXX} accepts -pto]) |
60 |
+ |
echo 'void f(){}' > conftest.cc |
61 |
+ |
if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then |
62 |
+ |
AC_MSG_RESULT(yes) |
63 |
+ |
OOPSE_TEMPLATE_FLAGS="-pto" |
64 |
+ |
else |
65 |
+ |
AC_MSG_RESULT(no) |
66 |
+ |
fi |
67 |
+ |
rm -f conftest* |
68 |
+ |
AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std]) |
69 |
+ |
echo 'void f(){}' > conftest.cc |
70 |
+ |
if test -z "`${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) |
77 |
+ |
fi |
78 |
+ |
fi |
79 |
+ |
AC_SUBST(OOPSE_TEMPLATE_FLAGS) |
80 |
+ |
AC_SUBST(EXTRA_CC_FLAG) |
81 |
+ |
|
82 |
+ |
dnl Fortran 90 compilation checks are next |
83 |
+ |
|
84 |
|
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
85 |
< |
ACX_PROG_F90_PREPFLAG |
85 |
> |
dnl Check the flag for Fortran90 preprocessing |
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) |
90 |
+ |
AC_LANG_PREPROC(Fortran 90) |
91 |
+ |
AC_F90_LIBRARY_LDFLAGS |
92 |
+ |
dnl How does Fortran mangle function names |
93 |
+ |
AC_F90_WRAPPERS |
94 |
+ |
AC_SUBST(F90_FUNC) |
95 |
+ |
AC_SUBST(F90_FUNC_) |
96 |
+ |
dnl Fortran 90 module suffix |
97 |
+ |
AC_CHECK_MODSUFFIX |
98 |
+ |
dnl Fortran 90 module path specifier |
99 |
+ |
AC_CHECK_MODDIRFLAG |
100 |
|
|
101 |
+ |
dnl check for strong optimization options |
102 |
+ |
|
103 |
|
case $debug in |
104 |
|
1) |
105 |
|
;; |
123 |
|
exit 1 |
124 |
|
fi |
125 |
|
|
62 |
– |
AC_LANG_PUSH(Fortran 90) |
63 |
– |
AC_LANG_PREPROC(Fortran 90) |
64 |
– |
AC_F90_LIBRARY_LDFLAGS |
65 |
– |
dnl how Fortran mangles function names |
66 |
– |
AC_F90_WRAPPERS |
67 |
– |
AC_SUBST(F90_FUNC) |
68 |
– |
AC_SUBST(F90_FUNC_) |
69 |
– |
|
126 |
|
AC_MSG_CHECKING([for mpi-directory]) |
127 |
|
AC_ARG_WITH(mpi_dir, |
128 |
|
[ --with-mpi_dir=MPIDIR give the path for MPI [/usr/local]], |
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 "$HAVE_MPI_MOD" = 1; then |
195 |
+ |
AC_DEFINE(MPI_MOD, 1, [have mpi module]) |
196 |
+ |
else |
197 |
+ |
AC_LANG([Fortran 90]) |
198 |
+ |
AC_CHECK_HEADERS(mpif.h) |
199 |
+ |
AC_LANG_RESTORE() |
200 |
+ |
AC_DEFINE(MPI_H, 1, [have mpi Fortran header file]) |
201 |
+ |
fi |
202 |
+ |
|
203 |
|
AM_PATH_SPRNG |
204 |
|
CHECK_MKL |
138 |
– |
AC_CHECK_MPI_F90MOD |
205 |
|
|
206 |
+ |
|
207 |
|
AC_EXEEXT |
208 |
|
AC_OBJEXT |
209 |
|
OBJEXT=".$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-""} |
242 |
|
|
243 |
|
case $debug in |
244 |
|
1) |
178 |
– |
CFLAGS="$DEBUG $CFLAGS" |
179 |
– |
CXXFLAGS="$DEBUG $CXXFLAGS" |
245 |
|
FFLAGS="$DEBUG $FFLAGS" |
246 |
|
F90FLAGS="$DEBUG $F90FLAGS" |
247 |
|
;; |
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 |