1 |
mmeineke |
377 |
dnl **** Process this file with autoconf to produce a configure script. |
2 |
|
|
|
3 |
gezelter |
747 |
AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse) |
4 |
mmeineke |
377 |
AC_CONFIG_AUX_DIR(ac-tools) |
5 |
|
|
|
6 |
gezelter |
747 |
builtin(include, ac-tools/fortran90.m4) |
7 |
mmeineke |
377 |
builtin(include, ac-tools/aclocal.m4) |
8 |
|
|
|
9 |
gezelter |
747 |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
10 |
mmeineke |
377 |
|
11 |
gezelter |
747 |
AC_PREFIX_DEFAULT("/usr/local") |
12 |
mmeineke |
377 |
|
13 |
gezelter |
747 |
# set program name |
14 |
|
|
PROGNAME="oopse" |
15 |
|
|
AC_SUBST(PROGNAME) |
16 |
|
|
|
17 |
gezelter |
822 |
# there are two ways to do debugging. One with the --enable-debug flag |
18 |
|
|
# and one using the DEBUG environment variable |
19 |
|
|
|
20 |
|
|
debug=0 |
21 |
|
|
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1]) |
22 |
gezelter |
747 |
if test "${DEBUG}"; then |
23 |
gezelter |
822 |
AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
24 |
gezelter |
747 |
msg="$msg, debug mode" |
25 |
mmeineke |
377 |
fi |
26 |
gezelter |
822 |
AC_SUBST(debug) |
27 |
mmeineke |
377 |
|
28 |
gezelter |
747 |
# who am i |
29 |
|
|
AC_CANONICAL_HOST |
30 |
mmeineke |
377 |
|
31 |
gezelter |
840 |
dnl Checks for C compiler |
32 |
gezelter |
747 |
AC_PROG_CC([icc xlc gcc cc]) |
33 |
gezelter |
840 |
|
34 |
|
|
dnl Checks for C++ compiler |
35 |
gezelter |
816 |
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
36 |
gezelter |
942 |
|
37 |
gezelter |
840 |
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 |
chuckv |
896 |
|
73 |
|
|
|
74 |
gezelter |
840 |
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 |
gezelter |
942 |
AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
85 |
gezelter |
840 |
dnl Check the flag for Fortran90 preprocessing |
86 |
gezelter |
942 |
ACX_PROG_F90_PREPFLAG |
87 |
gezelter |
840 |
dnl Check to see if a flag is required for preprocessing defines |
88 |
gezelter |
747 |
ACX_PROG_F90_PREPDEFFLAG |
89 |
gezelter |
840 |
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 |
gezelter |
822 |
|
101 |
gezelter |
840 |
dnl check for strong optimization options |
102 |
|
|
|
103 |
gezelter |
822 |
case $debug in |
104 |
|
|
1) |
105 |
|
|
;; |
106 |
|
|
*) |
107 |
|
|
ACX_PROG_CC_MAXOPT |
108 |
|
|
ACX_PROG_CXX_MAXOPT |
109 |
|
|
ACX_PROG_F90_MAXOPT |
110 |
|
|
;; |
111 |
|
|
esac |
112 |
|
|
|
113 |
gezelter |
747 |
AC_PROG_INSTALL |
114 |
|
|
AC_PROG_LN_S |
115 |
|
|
AC_PROG_MAKE_SET |
116 |
|
|
AC_PROG_RANLIB |
117 |
|
|
AC_PROG_YACC |
118 |
|
|
AC_PROG_LEX |
119 |
|
|
AC_CHECK_PROG(AR, ar, ar, NONE) |
120 |
|
|
if test "$AR" = "NONE"; then |
121 |
|
|
AC_MSG_ERROR(--> Can't find \`ar'!) |
122 |
|
|
AC_CACHE_SAVE |
123 |
|
|
exit 1 |
124 |
|
|
fi |
125 |
mmeineke |
377 |
|
126 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-directory]) |
127 |
gezelter |
942 |
AC_ARG_WITH(mpi, |
128 |
|
|
[ --with-mpi=MPIDIR give the path for MPI [/usr/local]], |
129 |
gezelter |
747 |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
130 |
|
|
AC_MSG_RESULT([$MPI_DIR]) |
131 |
gezelter |
942 |
AC_SUBST([mpi]) |
132 |
mmeineke |
377 |
|
133 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-lib-directory]) |
134 |
gezelter |
786 |
AC_ARG_WITH(mpi_libdir, |
135 |
|
|
[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
136 |
gezelter |
747 |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
137 |
|
|
AC_MSG_RESULT([$MPI_LIBDIR]) |
138 |
|
|
AC_SUBST([MPI_LIBDIR]) |
139 |
mmeineke |
377 |
|
140 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-inc-directory]) |
141 |
gezelter |
944 |
AC_ARG_WITH(mpi-inc, |
142 |
|
|
[ --with-mpi-inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
143 |
gezelter |
747 |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
144 |
|
|
AC_MSG_RESULT([$MPI_INC]) |
145 |
|
|
AC_SUBST([MPI_INC]) |
146 |
mmeineke |
377 |
|
147 |
gezelter |
944 |
AC_MSG_CHECKING([for mpi.h]) |
148 |
|
|
HAVE_MPIDOTH_C="no" |
149 |
|
|
echo '#include <mpi.h>' > conftest.cc |
150 |
|
|
if test -z "`${CXX} -I${MPI_INC} -c conftest.cc 2>&1`"; then |
151 |
|
|
AC_MSG_RESULT(yes) |
152 |
|
|
HAVE_MPIDOTH_C="yes" |
153 |
|
|
else |
154 |
|
|
AC_MSG_RESULT(no! Check MPI include paths) |
155 |
|
|
fi |
156 |
|
|
rm -f conftest* |
157 |
mmeineke |
377 |
|
158 |
gezelter |
944 |
AC_MSG_CHECKING([whether mpif.h is usable]) |
159 |
|
|
HAVE_MPIFDOTH_F90="no" |
160 |
|
|
rm -f conftest* |
161 |
|
|
cat >conftest.f90 <<EOF |
162 |
|
|
program main |
163 |
|
|
include 'mpif.h' |
164 |
|
|
end |
165 |
|
|
EOF |
166 |
|
|
if $F90 -I$MPI_INC -c conftest.f90 > conftest.out 2>&1 ; then |
167 |
|
|
AC_MSG_RESULT(yes) |
168 |
|
|
MPI_F90INC="$MPI_INC" |
169 |
|
|
HAVE_MPIFDOTH_F90="yes" |
170 |
|
|
else |
171 |
|
|
if test -s conftest.out ; then cat conftest.out >> config.log ; fi |
172 |
|
|
AC_MSG_RESULT([no! Check MPI include paths]) |
173 |
|
|
fi |
174 |
|
|
rm -f conftest* |
175 |
|
|
AC_SUBST([MPI_F90INC]) |
176 |
mmeineke |
377 |
|
177 |
gezelter |
944 |
AC_LANG_PUSH(C) |
178 |
|
|
ac_save_LDFLAGS=$LDFLAGS |
179 |
|
|
LDFLAGS="${LDFLAGS} -L${MPI_LIBDIR} " |
180 |
|
|
|
181 |
|
|
if test x = x"$MPI_LIB"; then |
182 |
|
|
AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi"]) |
183 |
|
|
fi |
184 |
|
|
if test x = x"$MPI_LIB"; then |
185 |
|
|
AC_CHECK_LIB(mpich, MPI_Init, [MPI_LIB="-lmpich"]) |
186 |
|
|
fi |
187 |
|
|
$as_unset ac_cv_lib_mpi_MPI_Init |
188 |
|
|
if test x = x"$MPI_LIB"; then |
189 |
|
|
AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam"], [], |
190 |
|
|
"-llam") |
191 |
|
|
fi |
192 |
|
|
|
193 |
|
|
$as_unset ac_cv_lib_mpi_MPI_Init |
194 |
|
|
if test x = x"$MPI_LIB"; then |
195 |
|
|
AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam -lpthread"], |
196 |
|
|
[AC_MSG_ERROR([Didn't find liblam, libmpi, or libmpich; check path for MPI package first...])], |
197 |
|
|
[-llam -lpthread]) |
198 |
|
|
fi |
199 |
|
|
|
200 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
201 |
gezelter |
747 |
AC_SUBST(MPI_LIB) |
202 |
mmeineke |
377 |
|
203 |
gezelter |
944 |
AC_MSG_CHECKING([for MPI Fortran library]) |
204 |
|
|
MPI_F90LIB="" |
205 |
|
|
if test -f "$MPI_LIBDIR/libfmpich.a" ; then |
206 |
|
|
MPI_F90LIB="-lfmpich" |
207 |
|
|
elif test -f "$MPI_LIBDIR/liblamf77mpi.a" ; then |
208 |
|
|
MPI_F90LIB="-llamf77mpi" |
209 |
|
|
else |
210 |
|
|
# nothing special found, we'll assume that the C library is all we need |
211 |
|
|
MPI_F90LIB=" " |
212 |
|
|
fi |
213 |
|
|
AC_MSG_RESULT([found $MPI_F90LIB]) |
214 |
|
|
AC_SUBST(MPI_F90LIB) |
215 |
|
|
|
216 |
|
|
dnl CHECK_MPI |
217 |
|
|
|
218 |
gezelter |
942 |
dnl I don't think this works right now: |
219 |
|
|
dnl ACX_MPI |
220 |
mmeineke |
377 |
|
221 |
gezelter |
747 |
AM_PATH_SPRNG |
222 |
|
|
CHECK_MKL |
223 |
gezelter |
826 |
|
224 |
mmeineke |
377 |
|
225 |
|
|
AC_EXEEXT |
226 |
|
|
AC_OBJEXT |
227 |
|
|
OBJEXT=".$OBJEXT" |
228 |
|
|
|
229 |
gezelter |
747 |
OOPSE=oopse |
230 |
mmeineke |
377 |
|
231 |
gezelter |
747 |
dnl **** define home dir of oopse |
232 |
|
|
if test "x${prefix}" = "xNONE" |
233 |
|
|
then |
234 |
|
|
OOPSE_HOME=${ac_default_prefix}/oopse |
235 |
mmeineke |
377 |
else |
236 |
gezelter |
747 |
OOPSE_HOME=${prefix}/oopse |
237 |
mmeineke |
377 |
fi |
238 |
gezelter |
747 |
AC_ARG_ENABLE(oopse-home, |
239 |
|
|
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
240 |
|
|
[OOPSE_HOME="${enableval}"]) |
241 |
mmeineke |
377 |
|
242 |
|
|
case "x$INSTALL" in |
243 |
|
|
x/*) ;; |
244 |
|
|
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
245 |
|
|
esac |
246 |
|
|
|
247 |
|
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
248 |
|
|
|
249 |
|
|
dnl **** Final list of subdirs |
250 |
chuckv |
894 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party" |
251 |
mmeineke |
377 |
|
252 |
gezelter |
747 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
253 |
mmeineke |
794 |
CFLAGS=${CFLAGS-""} |
254 |
|
|
CXXFLAGS=${CXXFLAGS-""} |
255 |
|
|
CPPFLAGS=${CPPFLAGS-""} |
256 |
|
|
FFLAGS=${FFLAGS-""} |
257 |
|
|
F90FLAGS=${F90FLAGS-""} |
258 |
|
|
LDFLAGS=${LDFLAGS-""} |
259 |
|
|
DEBUG=${DEBUG-"-g"} |
260 |
gezelter |
747 |
|
261 |
|
|
case $debug in |
262 |
gezelter |
822 |
1) |
263 |
gezelter |
747 |
FFLAGS="$DEBUG $FFLAGS" |
264 |
|
|
F90FLAGS="$DEBUG $F90FLAGS" |
265 |
|
|
;; |
266 |
|
|
*) |
267 |
|
|
;; |
268 |
|
|
esac |
269 |
|
|
|
270 |
|
|
|
271 |
|
|
AC_SUBST(EXEEXT) |
272 |
|
|
AC_SUBST(OBJEXT) |
273 |
|
|
AC_SUBST(BATEXT) |
274 |
|
|
AC_SUBST(MKINSTALLDIRS) |
275 |
|
|
AC_SUBST(OOPSE) |
276 |
|
|
AC_SUBST(OOPSE_HOME) |
277 |
|
|
AC_SUBST(SUBDIRS) |
278 |
|
|
AC_SUBST(CFLAGS) |
279 |
|
|
AC_SUBST(CXXFLAGS) |
280 |
|
|
AC_SUBST(CPPFLAGS) |
281 |
|
|
AC_SUBST(FFLAGS) |
282 |
|
|
AC_SUBST(F90FLAGS) |
283 |
|
|
AC_SUBST(LDFLAGS) |
284 |
|
|
AC_SUBST(PREPFLAG) |
285 |
|
|
AC_SUBST(PREPDEFFLAG) |
286 |
|
|
AC_CONFIG_HEADER([libmdtools/config.h]) |
287 |
|
|
AC_CONFIG_FILES([Makefile |
288 |
|
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
289 |
|
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
290 |
mmeineke |
809 |
staticProps/Makefile |
291 |
chuckv |
894 |
third-party/Makefile |
292 |
gezelter |
747 |
samples/alkane/Makefile samples/argon/Makefile |
293 |
|
|
samples/beadLipid/Makefile samples/lipid/Makefile |
294 |
|
|
samples/metals/Makefile samples/water/Makefile |
295 |
|
|
]) |
296 |
|
|
|
297 |
|
|
AC_OUTPUT |