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 |
|
|
|
10 |
gezelter |
747 |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
11 |
mmeineke |
377 |
|
12 |
gezelter |
747 |
AC_PREFIX_DEFAULT("/usr/local") |
13 |
mmeineke |
377 |
|
14 |
gezelter |
747 |
# set program name |
15 |
|
|
PROGNAME="oopse" |
16 |
|
|
AC_SUBST(PROGNAME) |
17 |
|
|
|
18 |
gezelter |
822 |
# there are two ways to do debugging. One with the --enable-debug flag |
19 |
|
|
# and one using the DEBUG environment variable |
20 |
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|
21 |
|
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debug=0 |
22 |
|
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AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1]) |
23 |
gezelter |
747 |
if test "${DEBUG}"; then |
24 |
gezelter |
822 |
AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
25 |
gezelter |
747 |
msg="$msg, debug mode" |
26 |
mmeineke |
377 |
fi |
27 |
gezelter |
822 |
AC_SUBST(debug) |
28 |
mmeineke |
377 |
|
29 |
gezelter |
747 |
# who am i |
30 |
|
|
AC_CANONICAL_HOST |
31 |
mmeineke |
377 |
|
32 |
gezelter |
840 |
dnl Checks for C compiler |
33 |
gezelter |
747 |
AC_PROG_CC([icc xlc gcc cc]) |
34 |
gezelter |
840 |
|
35 |
|
|
dnl Checks for C++ compiler |
36 |
gezelter |
816 |
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
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 |
|
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OOPSE_TEMPLATE_FLAGS="" |
40 |
|
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if test $ac_cv_prog_gxx = no; then |
41 |
|
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AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink]) |
42 |
|
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echo 'void f(){}' > conftest.cc |
43 |
|
|
if test -z "`${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 |
|
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OOPSE_TEMPLATE_FLAGS="-instances=static" |
55 |
|
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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 |
|
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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 |
|
|
EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" |
73 |
|
|
else |
74 |
|
|
AC_MSG_RESULT(no) |
75 |
|
|
fi |
76 |
|
|
fi |
77 |
|
|
AC_SUBST(OOPSE_TEMPLATE_FLAGS) |
78 |
|
|
AC_SUBST(EXTRA_CC_FLAG) |
79 |
|
|
|
80 |
|
|
dnl Fortran 90 compilation checks are next |
81 |
|
|
|
82 |
gezelter |
747 |
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
83 |
gezelter |
840 |
dnl Check the flag for Fortran90 preprocessing |
84 |
gezelter |
747 |
ACX_PROG_F90_PREPFLAG |
85 |
gezelter |
840 |
dnl Check to see if a flag is required for preprocessing defines |
86 |
gezelter |
747 |
ACX_PROG_F90_PREPDEFFLAG |
87 |
gezelter |
840 |
AC_LANG_PUSH(Fortran 90) |
88 |
|
|
AC_LANG_PREPROC(Fortran 90) |
89 |
|
|
AC_F90_LIBRARY_LDFLAGS |
90 |
|
|
dnl How does Fortran mangle function names |
91 |
|
|
AC_F90_WRAPPERS |
92 |
|
|
AC_SUBST(F90_FUNC) |
93 |
|
|
AC_SUBST(F90_FUNC_) |
94 |
|
|
dnl Fortran 90 module suffix |
95 |
|
|
AC_CHECK_MODSUFFIX |
96 |
|
|
dnl Fortran 90 module path specifier |
97 |
|
|
AC_CHECK_MODDIRFLAG |
98 |
gezelter |
822 |
|
99 |
gezelter |
840 |
dnl check for strong optimization options |
100 |
|
|
|
101 |
gezelter |
822 |
case $debug in |
102 |
|
|
1) |
103 |
|
|
;; |
104 |
|
|
*) |
105 |
|
|
ACX_PROG_CC_MAXOPT |
106 |
|
|
ACX_PROG_CXX_MAXOPT |
107 |
|
|
ACX_PROG_F90_MAXOPT |
108 |
|
|
;; |
109 |
|
|
esac |
110 |
|
|
|
111 |
gezelter |
747 |
AC_PROG_INSTALL |
112 |
|
|
AC_PROG_LN_S |
113 |
|
|
AC_PROG_MAKE_SET |
114 |
|
|
AC_PROG_RANLIB |
115 |
|
|
AC_PROG_YACC |
116 |
|
|
AC_PROG_LEX |
117 |
|
|
AC_CHECK_PROG(AR, ar, ar, NONE) |
118 |
|
|
if test "$AR" = "NONE"; then |
119 |
|
|
AC_MSG_ERROR(--> Can't find \`ar'!) |
120 |
|
|
AC_CACHE_SAVE |
121 |
|
|
exit 1 |
122 |
|
|
fi |
123 |
mmeineke |
377 |
|
124 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-directory]) |
125 |
gezelter |
786 |
AC_ARG_WITH(mpi_dir, |
126 |
|
|
[ --with-mpi_dir=MPIDIR give the path for MPI [/usr/local]], |
127 |
gezelter |
747 |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
128 |
|
|
AC_MSG_RESULT([$MPI_DIR]) |
129 |
gezelter |
786 |
AC_SUBST([mpi_dir]) |
130 |
mmeineke |
377 |
|
131 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-lib-directory]) |
132 |
gezelter |
786 |
AC_ARG_WITH(mpi_libdir, |
133 |
|
|
[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
134 |
gezelter |
747 |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
135 |
|
|
AC_MSG_RESULT([$MPI_LIBDIR]) |
136 |
|
|
AC_SUBST([MPI_LIBDIR]) |
137 |
mmeineke |
377 |
|
138 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-inc-directory]) |
139 |
gezelter |
786 |
AC_ARG_WITH(mpi_inc, |
140 |
|
|
[ --with-mpi_inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
141 |
gezelter |
747 |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
142 |
|
|
AC_MSG_RESULT([$MPI_INC]) |
143 |
|
|
AC_SUBST([MPI_INC]) |
144 |
mmeineke |
377 |
|
145 |
|
|
|
146 |
gezelter |
747 |
AC_MSG_CHECKING([for MPI library]) |
147 |
|
|
MPI_LIB="" |
148 |
|
|
case "$host" in |
149 |
|
|
*-ibm-aix*) dnl IBM/SP2 machines |
150 |
|
|
dnl checking whether to use signal-based MPI |
151 |
mmeineke |
377 |
|
152 |
gezelter |
747 |
AC_MSG_CHECKING([whether to use signal-based MPI library]) |
153 |
|
|
AC_MSG_RESULT([$PACX_SIGNAL]) |
154 |
|
|
if test "x$PACX_SIGNAL" = "xyes" ; then |
155 |
|
|
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
156 |
|
|
MPI_LIB="-lmpi" |
157 |
|
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
158 |
|
|
MPI_LIB="-lmpi" |
159 |
|
|
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
160 |
|
|
MPI_LIB="-lmpich" |
161 |
|
|
else |
162 |
|
|
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
163 |
|
|
fi |
164 |
|
|
else |
165 |
|
|
if test -f "$MPI_LIBDIR/libmpi_r.a" ; then |
166 |
|
|
MPI_LIB="-lmpi_r" |
167 |
|
|
else |
168 |
|
|
AC_MSG_ERROR([libmpi_r not found; check path for MPI package...]) |
169 |
|
|
fi |
170 |
|
|
fi |
171 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
172 |
|
|
;; |
173 |
|
|
*) dnl All other machines |
174 |
|
|
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
175 |
|
|
MPI_LIB="-lmpi" |
176 |
|
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
177 |
|
|
MPI_LIB="-lmpi" |
178 |
|
|
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
179 |
|
|
MPI_LIB="-lmpich" |
180 |
|
|
else |
181 |
|
|
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
182 |
|
|
fi |
183 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
184 |
|
|
;; |
185 |
|
|
esac |
186 |
|
|
AC_SUBST(MPI_LIB) |
187 |
mmeineke |
377 |
|
188 |
gezelter |
747 |
ACX_MPI |
189 |
mmeineke |
377 |
|
190 |
gezelter |
878 |
AC_CHECK_MPI_F90MOD |
191 |
|
|
|
192 |
|
|
if test "$HAVE_MPI_MOD" = 1; then |
193 |
|
|
AC_DEFINE(MPI_MOD, 1, [have mpi module]) |
194 |
|
|
else |
195 |
|
|
AC_LANG([Fortran 90]) |
196 |
|
|
AC_CHECK_HEADERS(mpif.h) |
197 |
|
|
AC_LANG_RESTORE() |
198 |
|
|
AC_DEFINE(MPI_H, 1, [have mpi Fortran header file]) |
199 |
|
|
fi |
200 |
|
|
|
201 |
gezelter |
747 |
AM_PATH_SPRNG |
202 |
|
|
CHECK_MKL |
203 |
gezelter |
826 |
|
204 |
mmeineke |
377 |
|
205 |
|
|
AC_EXEEXT |
206 |
|
|
AC_OBJEXT |
207 |
|
|
OBJEXT=".$OBJEXT" |
208 |
|
|
|
209 |
gezelter |
747 |
OOPSE=oopse |
210 |
mmeineke |
377 |
|
211 |
gezelter |
747 |
dnl **** define home dir of oopse |
212 |
|
|
if test "x${prefix}" = "xNONE" |
213 |
|
|
then |
214 |
|
|
OOPSE_HOME=${ac_default_prefix}/oopse |
215 |
mmeineke |
377 |
else |
216 |
gezelter |
747 |
OOPSE_HOME=${prefix}/oopse |
217 |
mmeineke |
377 |
fi |
218 |
gezelter |
747 |
AC_ARG_ENABLE(oopse-home, |
219 |
|
|
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
220 |
|
|
[OOPSE_HOME="${enableval}"]) |
221 |
mmeineke |
377 |
|
222 |
|
|
case "x$INSTALL" in |
223 |
|
|
x/*) ;; |
224 |
|
|
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
225 |
|
|
esac |
226 |
|
|
|
227 |
|
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
228 |
|
|
|
229 |
|
|
dnl **** Final list of subdirs |
230 |
mmeineke |
809 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" |
231 |
mmeineke |
377 |
|
232 |
gezelter |
747 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
233 |
mmeineke |
794 |
CFLAGS=${CFLAGS-""} |
234 |
|
|
CXXFLAGS=${CXXFLAGS-""} |
235 |
|
|
CPPFLAGS=${CPPFLAGS-""} |
236 |
|
|
FFLAGS=${FFLAGS-""} |
237 |
|
|
F90FLAGS=${F90FLAGS-""} |
238 |
|
|
LDFLAGS=${LDFLAGS-""} |
239 |
|
|
DEBUG=${DEBUG-"-g"} |
240 |
gezelter |
747 |
|
241 |
|
|
case $debug in |
242 |
gezelter |
822 |
1) |
243 |
gezelter |
747 |
FFLAGS="$DEBUG $FFLAGS" |
244 |
|
|
F90FLAGS="$DEBUG $F90FLAGS" |
245 |
|
|
;; |
246 |
|
|
*) |
247 |
|
|
;; |
248 |
|
|
esac |
249 |
|
|
|
250 |
|
|
|
251 |
|
|
AC_SUBST(EXEEXT) |
252 |
|
|
AC_SUBST(OBJEXT) |
253 |
|
|
AC_SUBST(BATEXT) |
254 |
|
|
AC_SUBST(MKINSTALLDIRS) |
255 |
|
|
AC_SUBST(OOPSE) |
256 |
|
|
AC_SUBST(OOPSE_HOME) |
257 |
|
|
AC_SUBST(SUBDIRS) |
258 |
|
|
AC_SUBST(CFLAGS) |
259 |
|
|
AC_SUBST(CXXFLAGS) |
260 |
|
|
AC_SUBST(CPPFLAGS) |
261 |
|
|
AC_SUBST(FFLAGS) |
262 |
|
|
AC_SUBST(F90FLAGS) |
263 |
|
|
AC_SUBST(LDFLAGS) |
264 |
|
|
AC_SUBST(PREPFLAG) |
265 |
|
|
AC_SUBST(PREPDEFFLAG) |
266 |
|
|
AC_CONFIG_HEADER([libmdtools/config.h]) |
267 |
|
|
AC_CONFIG_FILES([Makefile |
268 |
|
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
269 |
|
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
270 |
mmeineke |
809 |
staticProps/Makefile |
271 |
gezelter |
747 |
samples/alkane/Makefile samples/argon/Makefile |
272 |
|
|
samples/beadLipid/Makefile samples/lipid/Makefile |
273 |
|
|
samples/metals/Makefile samples/water/Makefile |
274 |
|
|
]) |
275 |
|
|
|
276 |
|
|
AC_OUTPUT |