29 |
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# who am i |
30 |
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AC_CANONICAL_HOST |
31 |
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|
32 |
< |
dnl Checks for programs. |
32 |
> |
dnl Checks for C compiler |
33 |
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AC_PROG_CC([icc xlc gcc cc]) |
34 |
+ |
|
35 |
+ |
dnl Checks for C++ compiler |
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AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
37 |
< |
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
37 |
> |
|
38 |
> |
dnl If we are not running g++ then we might need some other flags |
39 |
> |
dnl to get the templates compiled correctly |
40 |
> |
OOPSE_TEMPLATE_FLAGS="" |
41 |
> |
if test $ac_cv_prog_gxx = no; then |
42 |
> |
AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink]) |
43 |
> |
echo 'void f(){}' > conftest.cc |
44 |
> |
if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then |
45 |
> |
AC_MSG_RESULT(yes) |
46 |
> |
OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink" |
47 |
> |
else |
48 |
> |
AC_MSG_RESULT(no) |
49 |
> |
fi |
50 |
> |
rm -f conftest* |
51 |
> |
AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static]) |
52 |
> |
echo 'void f(){}' > conftest.cc |
53 |
> |
if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then |
54 |
> |
AC_MSG_RESULT(yes) |
55 |
> |
OOPSE_TEMPLATE_FLAGS="-instances=static" |
56 |
> |
else |
57 |
> |
AC_MSG_RESULT(no) |
58 |
> |
fi |
59 |
> |
rm -f conftest* |
60 |
> |
AC_MSG_CHECKING([checking whether ${CXX} accepts -pto]) |
61 |
> |
echo 'void f(){}' > conftest.cc |
62 |
> |
if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then |
63 |
> |
AC_MSG_RESULT(yes) |
64 |
> |
OOPSE_TEMPLATE_FLAGS="-pto" |
65 |
> |
else |
66 |
> |
AC_MSG_RESULT(no) |
67 |
> |
fi |
68 |
> |
rm -f conftest* |
69 |
> |
AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std]) |
70 |
> |
echo 'void f(){}' > conftest.cc |
71 |
> |
if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then |
72 |
> |
AC_MSG_RESULT(yes) |
73 |
> |
|
74 |
> |
|
75 |
> |
EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" |
76 |
> |
else |
77 |
> |
AC_MSG_RESULT(no) |
78 |
> |
fi |
79 |
> |
fi |
80 |
> |
AC_SUBST(OOPSE_TEMPLATE_FLAGS) |
81 |
> |
AC_SUBST(EXTRA_CC_FLAG) |
82 |
> |
|
83 |
> |
dnl Fortran 90 compilation checks are next |
84 |
> |
|
85 |
> |
AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
86 |
> |
dnl Check the flag for Fortran90 preprocessing |
87 |
|
ACX_PROG_F90_PREPFLAG |
88 |
+ |
dnl Check to see if a flag is required for preprocessing defines |
89 |
|
ACX_PROG_F90_PREPDEFFLAG |
90 |
+ |
AC_LANG_PUSH(Fortran 90) |
91 |
+ |
AC_LANG_PREPROC(Fortran 90) |
92 |
+ |
AC_F90_LIBRARY_LDFLAGS |
93 |
+ |
dnl How does Fortran mangle function names |
94 |
+ |
AC_F90_WRAPPERS |
95 |
+ |
AC_SUBST(F90_FUNC) |
96 |
+ |
AC_SUBST(F90_FUNC_) |
97 |
+ |
dnl Fortran 90 module suffix |
98 |
+ |
AC_CHECK_MODSUFFIX |
99 |
+ |
dnl Fortran 90 module path specifier |
100 |
+ |
AC_CHECK_MODDIRFLAG |
101 |
|
|
102 |
+ |
dnl check for strong optimization options |
103 |
+ |
|
104 |
|
case $debug in |
105 |
|
1) |
106 |
|
;; |
124 |
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exit 1 |
125 |
|
fi |
126 |
|
|
62 |
– |
AC_LANG_PUSH(Fortran 90) |
63 |
– |
AC_LANG_PREPROC(Fortran 90) |
64 |
– |
AC_F90_LIBRARY_LDFLAGS |
65 |
– |
dnl how Fortran mangles function names |
66 |
– |
AC_F90_WRAPPERS |
67 |
– |
AC_SUBST(F90_FUNC) |
68 |
– |
AC_SUBST(F90_FUNC_) |
69 |
– |
|
127 |
|
AC_MSG_CHECKING([for mpi-directory]) |
128 |
< |
AC_ARG_WITH(mpi_dir, |
129 |
< |
[ --with-mpi_dir=MPIDIR give the path for MPI [/usr/local]], |
128 |
> |
AC_ARG_WITH(mpi, |
129 |
> |
[ --with-mpi=MPIDIR give the path for MPI [/usr/local]], |
130 |
|
MPI_DIR="$withval", MPI_DIR="/usr/local") |
131 |
|
AC_MSG_RESULT([$MPI_DIR]) |
132 |
< |
AC_SUBST([mpi_dir]) |
132 |
> |
AC_SUBST([mpi]) |
133 |
|
|
134 |
|
AC_MSG_CHECKING([for mpi-lib-directory]) |
135 |
|
AC_ARG_WITH(mpi_libdir, |
174 |
|
AC_MSG_RESULT(found $MPI_LIB) |
175 |
|
;; |
176 |
|
*) dnl All other machines |
177 |
< |
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
178 |
< |
MPI_LIB="-lmpi" |
177 |
> |
if test -f "$MPI_LIBDIR/libmpich.a" ; then |
178 |
> |
MPI_LIB="-lmpich" |
179 |
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
180 |
|
MPI_LIB="-lmpi" |
181 |
< |
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
182 |
< |
MPI_LIB="-lmpich" |
181 |
> |
elif test -f "$MPI_LIBDIR/libmpi.a" ; then |
182 |
> |
MPI_LIB="-lmpi" |
183 |
|
else |
184 |
|
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
185 |
|
fi |
188 |
|
esac |
189 |
|
AC_SUBST(MPI_LIB) |
190 |
|
|
191 |
< |
ACX_MPI |
191 |
> |
dnl I don't think this works right now: |
192 |
> |
dnl ACX_MPI |
193 |
|
|
194 |
|
AM_PATH_SPRNG |
195 |
|
CHECK_MKL |
138 |
– |
AC_CHECK_MPI_F90MOD |
196 |
|
|
197 |
+ |
|
198 |
|
AC_EXEEXT |
199 |
|
AC_OBJEXT |
200 |
|
OBJEXT=".$OBJEXT" |
220 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
221 |
|
|
222 |
|
dnl **** Final list of subdirs |
223 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" |
223 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party" |
224 |
|
|
225 |
|
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
226 |
|
CFLAGS=${CFLAGS-""} |
233 |
|
|
234 |
|
case $debug in |
235 |
|
1) |
178 |
– |
CFLAGS="$DEBUG $CFLAGS" |
179 |
– |
CXXFLAGS="$DEBUG $CXXFLAGS" |
236 |
|
FFLAGS="$DEBUG $FFLAGS" |
237 |
|
F90FLAGS="$DEBUG $F90FLAGS" |
238 |
|
;; |
261 |
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
262 |
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
263 |
|
staticProps/Makefile |
264 |
+ |
third-party/Makefile |
265 |
|
samples/alkane/Makefile samples/argon/Makefile |
266 |
|
samples/beadLipid/Makefile samples/lipid/Makefile |
267 |
|
samples/metals/Makefile samples/water/Makefile |