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 |
|
|
|
21 |
|
|
debug=0 |
22 |
|
|
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 |
747 |
dnl Checks for programs. |
33 |
|
|
AC_PROG_CC([icc xlc gcc cc]) |
34 |
gezelter |
816 |
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
35 |
gezelter |
747 |
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
36 |
|
|
ACX_PROG_F90_PREPFLAG |
37 |
|
|
ACX_PROG_F90_PREPDEFFLAG |
38 |
gezelter |
822 |
|
39 |
|
|
case $debug in |
40 |
|
|
1) |
41 |
|
|
;; |
42 |
|
|
*) |
43 |
|
|
ACX_PROG_CC_MAXOPT |
44 |
|
|
ACX_PROG_CXX_MAXOPT |
45 |
|
|
ACX_PROG_F90_MAXOPT |
46 |
|
|
;; |
47 |
|
|
esac |
48 |
|
|
|
49 |
gezelter |
747 |
AC_PROG_INSTALL |
50 |
|
|
AC_PROG_LN_S |
51 |
|
|
AC_PROG_MAKE_SET |
52 |
|
|
AC_PROG_RANLIB |
53 |
|
|
AC_PROG_YACC |
54 |
|
|
AC_PROG_LEX |
55 |
|
|
AC_CHECK_PROG(AR, ar, ar, NONE) |
56 |
|
|
if test "$AR" = "NONE"; then |
57 |
|
|
AC_MSG_ERROR(--> Can't find \`ar'!) |
58 |
|
|
AC_CACHE_SAVE |
59 |
|
|
exit 1 |
60 |
|
|
fi |
61 |
mmeineke |
377 |
|
62 |
gezelter |
747 |
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 |
gezelter |
826 |
dnl module stuff |
70 |
|
|
AC_CHECK_MODSUFFIX |
71 |
|
|
AC_CHECK_MODDIRFLAG |
72 |
mmeineke |
377 |
|
73 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-directory]) |
74 |
gezelter |
786 |
AC_ARG_WITH(mpi_dir, |
75 |
|
|
[ --with-mpi_dir=MPIDIR give the path for MPI [/usr/local]], |
76 |
gezelter |
747 |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
77 |
|
|
AC_MSG_RESULT([$MPI_DIR]) |
78 |
gezelter |
786 |
AC_SUBST([mpi_dir]) |
79 |
mmeineke |
377 |
|
80 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-lib-directory]) |
81 |
gezelter |
786 |
AC_ARG_WITH(mpi_libdir, |
82 |
|
|
[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
83 |
gezelter |
747 |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
84 |
|
|
AC_MSG_RESULT([$MPI_LIBDIR]) |
85 |
|
|
AC_SUBST([MPI_LIBDIR]) |
86 |
mmeineke |
377 |
|
87 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-inc-directory]) |
88 |
gezelter |
786 |
AC_ARG_WITH(mpi_inc, |
89 |
|
|
[ --with-mpi_inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
90 |
gezelter |
747 |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
91 |
|
|
AC_MSG_RESULT([$MPI_INC]) |
92 |
|
|
AC_SUBST([MPI_INC]) |
93 |
mmeineke |
377 |
|
94 |
|
|
|
95 |
gezelter |
747 |
AC_MSG_CHECKING([for MPI library]) |
96 |
|
|
MPI_LIB="" |
97 |
|
|
case "$host" in |
98 |
|
|
*-ibm-aix*) dnl IBM/SP2 machines |
99 |
|
|
dnl checking whether to use signal-based MPI |
100 |
mmeineke |
377 |
|
101 |
gezelter |
747 |
AC_MSG_CHECKING([whether to use signal-based MPI library]) |
102 |
|
|
AC_MSG_RESULT([$PACX_SIGNAL]) |
103 |
|
|
if test "x$PACX_SIGNAL" = "xyes" ; then |
104 |
|
|
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
105 |
|
|
MPI_LIB="-lmpi" |
106 |
|
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
107 |
|
|
MPI_LIB="-lmpi" |
108 |
|
|
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
109 |
|
|
MPI_LIB="-lmpich" |
110 |
|
|
else |
111 |
|
|
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
112 |
|
|
fi |
113 |
|
|
else |
114 |
|
|
if test -f "$MPI_LIBDIR/libmpi_r.a" ; then |
115 |
|
|
MPI_LIB="-lmpi_r" |
116 |
|
|
else |
117 |
|
|
AC_MSG_ERROR([libmpi_r not found; check path for MPI package...]) |
118 |
|
|
fi |
119 |
|
|
fi |
120 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
121 |
|
|
;; |
122 |
|
|
*) dnl All other machines |
123 |
|
|
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
124 |
|
|
MPI_LIB="-lmpi" |
125 |
|
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
126 |
|
|
MPI_LIB="-lmpi" |
127 |
|
|
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
128 |
|
|
MPI_LIB="-lmpich" |
129 |
|
|
else |
130 |
|
|
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
131 |
|
|
fi |
132 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
133 |
|
|
;; |
134 |
|
|
esac |
135 |
|
|
AC_SUBST(MPI_LIB) |
136 |
mmeineke |
377 |
|
137 |
gezelter |
747 |
ACX_MPI |
138 |
mmeineke |
377 |
|
139 |
gezelter |
747 |
AM_PATH_SPRNG |
140 |
|
|
CHECK_MKL |
141 |
gezelter |
826 |
|
142 |
mmeineke |
792 |
AC_CHECK_MPI_F90MOD |
143 |
mmeineke |
377 |
|
144 |
|
|
AC_EXEEXT |
145 |
|
|
AC_OBJEXT |
146 |
|
|
OBJEXT=".$OBJEXT" |
147 |
|
|
|
148 |
gezelter |
747 |
OOPSE=oopse |
149 |
mmeineke |
377 |
|
150 |
gezelter |
747 |
dnl **** define home dir of oopse |
151 |
|
|
if test "x${prefix}" = "xNONE" |
152 |
|
|
then |
153 |
|
|
OOPSE_HOME=${ac_default_prefix}/oopse |
154 |
mmeineke |
377 |
else |
155 |
gezelter |
747 |
OOPSE_HOME=${prefix}/oopse |
156 |
mmeineke |
377 |
fi |
157 |
gezelter |
747 |
AC_ARG_ENABLE(oopse-home, |
158 |
|
|
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
159 |
|
|
[OOPSE_HOME="${enableval}"]) |
160 |
mmeineke |
377 |
|
161 |
|
|
case "x$INSTALL" in |
162 |
|
|
x/*) ;; |
163 |
|
|
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
164 |
|
|
esac |
165 |
|
|
|
166 |
|
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
167 |
|
|
|
168 |
|
|
dnl **** Final list of subdirs |
169 |
mmeineke |
809 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" |
170 |
mmeineke |
377 |
|
171 |
gezelter |
747 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
172 |
mmeineke |
794 |
CFLAGS=${CFLAGS-""} |
173 |
|
|
CXXFLAGS=${CXXFLAGS-""} |
174 |
|
|
CPPFLAGS=${CPPFLAGS-""} |
175 |
|
|
FFLAGS=${FFLAGS-""} |
176 |
|
|
F90FLAGS=${F90FLAGS-""} |
177 |
|
|
LDFLAGS=${LDFLAGS-""} |
178 |
|
|
DEBUG=${DEBUG-"-g"} |
179 |
gezelter |
747 |
|
180 |
|
|
case $debug in |
181 |
gezelter |
822 |
1) |
182 |
gezelter |
747 |
FFLAGS="$DEBUG $FFLAGS" |
183 |
|
|
F90FLAGS="$DEBUG $F90FLAGS" |
184 |
|
|
;; |
185 |
|
|
*) |
186 |
|
|
;; |
187 |
|
|
esac |
188 |
|
|
|
189 |
|
|
|
190 |
|
|
AC_SUBST(EXEEXT) |
191 |
|
|
AC_SUBST(OBJEXT) |
192 |
|
|
AC_SUBST(BATEXT) |
193 |
|
|
AC_SUBST(MKINSTALLDIRS) |
194 |
|
|
AC_SUBST(OOPSE) |
195 |
|
|
AC_SUBST(OOPSE_HOME) |
196 |
|
|
AC_SUBST(SUBDIRS) |
197 |
|
|
AC_SUBST(CFLAGS) |
198 |
|
|
AC_SUBST(CXXFLAGS) |
199 |
|
|
AC_SUBST(CPPFLAGS) |
200 |
|
|
AC_SUBST(FFLAGS) |
201 |
|
|
AC_SUBST(F90FLAGS) |
202 |
|
|
AC_SUBST(LDFLAGS) |
203 |
|
|
AC_SUBST(PREPFLAG) |
204 |
|
|
AC_SUBST(PREPDEFFLAG) |
205 |
|
|
AC_CONFIG_HEADER([libmdtools/config.h]) |
206 |
|
|
AC_CONFIG_FILES([Makefile |
207 |
|
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
208 |
|
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
209 |
mmeineke |
809 |
staticProps/Makefile |
210 |
gezelter |
747 |
samples/alkane/Makefile samples/argon/Makefile |
211 |
|
|
samples/beadLipid/Makefile samples/lipid/Makefile |
212 |
|
|
samples/metals/Makefile samples/water/Makefile |
213 |
|
|
]) |
214 |
|
|
|
215 |
|
|
AC_OUTPUT |