1 |
mmeineke |
377 |
dnl **** Process this file with autoconf to produce a configure script. |
2 |
|
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|
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 |
|
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|
9 |
|
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|
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 |
# what should I build? |
15 |
mmeineke |
377 |
|
16 |
gezelter |
747 |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [DEBUG=1]) |
17 |
mmeineke |
377 |
|
18 |
gezelter |
747 |
# set program name |
19 |
|
|
PROGNAME="oopse" |
20 |
|
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AC_SUBST(PROGNAME) |
21 |
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22 |
|
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if test "${DEBUG}"; then |
23 |
|
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AC_DEFINE(DEBUG, 1, [Code compiled in debug mode]) |
24 |
|
|
msg="$msg, debug mode" |
25 |
mmeineke |
377 |
fi |
26 |
gezelter |
747 |
AC_SUBST(DEBUG) |
27 |
mmeineke |
377 |
|
28 |
gezelter |
747 |
# who am i |
29 |
|
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AC_CANONICAL_HOST |
30 |
mmeineke |
377 |
|
31 |
gezelter |
747 |
dnl Checks for programs. |
32 |
|
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AC_PROG_CC([icc xlc gcc cc]) |
33 |
|
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ACX_PROG_CC_MAXOPT |
34 |
|
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AC_PROG_CXX([icpc icc xlC g++ c++]) |
35 |
|
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ACX_PROG_CXX_MAXOPT |
36 |
|
|
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
37 |
|
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ACX_PROG_F90_MAXOPT |
38 |
|
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ACX_PROG_F90_PREPFLAG |
39 |
|
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ACX_PROG_F90_PREPDEFFLAG |
40 |
|
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AC_PROG_INSTALL |
41 |
|
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AC_PROG_LN_S |
42 |
|
|
AC_PROG_MAKE_SET |
43 |
|
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AC_PROG_RANLIB |
44 |
|
|
AC_PROG_YACC |
45 |
|
|
AC_PROG_LEX |
46 |
|
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AC_CHECK_PROG(AR, ar, ar, NONE) |
47 |
|
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if test "$AR" = "NONE"; then |
48 |
|
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AC_MSG_ERROR(--> Can't find \`ar'!) |
49 |
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AC_CACHE_SAVE |
50 |
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exit 1 |
51 |
|
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fi |
52 |
mmeineke |
377 |
|
53 |
gezelter |
747 |
AC_LANG_PUSH(Fortran 90) |
54 |
|
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AC_LANG_PREPROC(Fortran 90) |
55 |
|
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AC_F90_LIBRARY_LDFLAGS |
56 |
|
|
dnl how Fortran mangles function names |
57 |
|
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AC_F90_WRAPPERS |
58 |
|
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AC_SUBST(F90_FUNC) |
59 |
|
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AC_SUBST(F90_FUNC_) |
60 |
mmeineke |
377 |
|
61 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-directory]) |
62 |
gezelter |
786 |
AC_ARG_WITH(mpi_dir, |
63 |
|
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[ --with-mpi_dir=MPIDIR give the path for MPI [/usr/local]], |
64 |
gezelter |
747 |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
65 |
|
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AC_MSG_RESULT([$MPI_DIR]) |
66 |
gezelter |
786 |
AC_SUBST([mpi_dir]) |
67 |
mmeineke |
377 |
|
68 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-lib-directory]) |
69 |
gezelter |
786 |
AC_ARG_WITH(mpi_libdir, |
70 |
|
|
[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
71 |
gezelter |
747 |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
72 |
|
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AC_MSG_RESULT([$MPI_LIBDIR]) |
73 |
|
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AC_SUBST([MPI_LIBDIR]) |
74 |
mmeineke |
377 |
|
75 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-inc-directory]) |
76 |
gezelter |
786 |
AC_ARG_WITH(mpi_inc, |
77 |
|
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[ --with-mpi_inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
78 |
gezelter |
747 |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
79 |
|
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AC_MSG_RESULT([$MPI_INC]) |
80 |
|
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AC_SUBST([MPI_INC]) |
81 |
mmeineke |
377 |
|
82 |
|
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|
83 |
gezelter |
747 |
AC_MSG_CHECKING([for MPI library]) |
84 |
|
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MPI_LIB="" |
85 |
|
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case "$host" in |
86 |
|
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*-ibm-aix*) dnl IBM/SP2 machines |
87 |
|
|
dnl checking whether to use signal-based MPI |
88 |
mmeineke |
377 |
|
89 |
gezelter |
747 |
AC_MSG_CHECKING([whether to use signal-based MPI library]) |
90 |
|
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AC_MSG_RESULT([$PACX_SIGNAL]) |
91 |
|
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if test "x$PACX_SIGNAL" = "xyes" ; then |
92 |
|
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if test -f "$MPI_LIBDIR/libmpi.a" ; then |
93 |
|
|
MPI_LIB="-lmpi" |
94 |
|
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
95 |
|
|
MPI_LIB="-lmpi" |
96 |
|
|
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
97 |
|
|
MPI_LIB="-lmpich" |
98 |
|
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else |
99 |
|
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AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
100 |
|
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fi |
101 |
|
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else |
102 |
|
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if test -f "$MPI_LIBDIR/libmpi_r.a" ; then |
103 |
|
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MPI_LIB="-lmpi_r" |
104 |
|
|
else |
105 |
|
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AC_MSG_ERROR([libmpi_r not found; check path for MPI package...]) |
106 |
|
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fi |
107 |
|
|
fi |
108 |
|
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AC_MSG_RESULT(found $MPI_LIB) |
109 |
|
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;; |
110 |
|
|
*) dnl All other machines |
111 |
|
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if test -f "$MPI_LIBDIR/libmpi.a" ; then |
112 |
|
|
MPI_LIB="-lmpi" |
113 |
|
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
114 |
|
|
MPI_LIB="-lmpi" |
115 |
|
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elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
116 |
|
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MPI_LIB="-lmpich" |
117 |
|
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else |
118 |
|
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AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
119 |
|
|
fi |
120 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
121 |
|
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;; |
122 |
|
|
esac |
123 |
|
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AC_SUBST(MPI_LIB) |
124 |
mmeineke |
377 |
|
125 |
gezelter |
747 |
ACX_MPI |
126 |
mmeineke |
377 |
|
127 |
gezelter |
747 |
AM_PATH_SPRNG |
128 |
|
|
CHECK_MKL |
129 |
mmeineke |
790 |
#AC_CHECK_MPI_F90MOD |
130 |
mmeineke |
377 |
|
131 |
|
|
AC_EXEEXT |
132 |
|
|
AC_OBJEXT |
133 |
|
|
OBJEXT=".$OBJEXT" |
134 |
|
|
|
135 |
gezelter |
747 |
OOPSE=oopse |
136 |
mmeineke |
377 |
|
137 |
gezelter |
747 |
dnl **** define home dir of oopse |
138 |
|
|
if test "x${prefix}" = "xNONE" |
139 |
|
|
then |
140 |
|
|
OOPSE_HOME=${ac_default_prefix}/oopse |
141 |
mmeineke |
377 |
else |
142 |
gezelter |
747 |
OOPSE_HOME=${prefix}/oopse |
143 |
mmeineke |
377 |
fi |
144 |
gezelter |
747 |
AC_ARG_ENABLE(oopse-home, |
145 |
|
|
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
146 |
|
|
[OOPSE_HOME="${enableval}"]) |
147 |
mmeineke |
377 |
|
148 |
|
|
case "x$INSTALL" in |
149 |
|
|
x/*) ;; |
150 |
|
|
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
151 |
|
|
esac |
152 |
|
|
|
153 |
|
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
154 |
|
|
|
155 |
|
|
dnl **** Final list of subdirs |
156 |
chuckv |
679 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder" |
157 |
mmeineke |
377 |
|
158 |
gezelter |
747 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
159 |
|
|
#CFLAGS=${CFLAGS-""} |
160 |
|
|
#CXXFLAGS=${CXXFLAGS-""} |
161 |
|
|
#CPPFLAGS=${CPPFLAGS-""} |
162 |
|
|
#FFLAGS=${FFLAGS-""} |
163 |
|
|
#LDFLAGS=${LDFLAGS-""} |
164 |
|
|
#OPTIMIZE=${OPTIMIZE-"-O"} |
165 |
|
|
#DEBUG=${DEBUG-"-g"} |
166 |
|
|
|
167 |
|
|
case $debug in |
168 |
|
|
true) |
169 |
|
|
CFLAGS="$DEBUG $CFLAGS" |
170 |
|
|
CXXFLAGS="$DEBUG $CXXFLAGS" |
171 |
|
|
FFLAGS="$DEBUG $FFLAGS" |
172 |
|
|
F90FLAGS="$DEBUG $F90FLAGS" |
173 |
|
|
;; |
174 |
|
|
*) |
175 |
|
|
CFLAGS="$OPTIMIZE $CFLAGS" |
176 |
|
|
CXXFLAGS="$OPTIMIZE $CXXFLAGS" |
177 |
|
|
FFLAGS="$OPTIMIZE $FFLAGS" |
178 |
|
|
F90FLAGS="$OPTIMIZE $F90FLAGS" |
179 |
|
|
;; |
180 |
|
|
esac |
181 |
|
|
|
182 |
|
|
|
183 |
|
|
AC_SUBST(EXEEXT) |
184 |
|
|
AC_SUBST(OBJEXT) |
185 |
|
|
AC_SUBST(BATEXT) |
186 |
|
|
AC_SUBST(MKINSTALLDIRS) |
187 |
|
|
AC_SUBST(OOPSE) |
188 |
|
|
AC_SUBST(OOPSE_HOME) |
189 |
|
|
AC_SUBST(SUBDIRS) |
190 |
|
|
AC_SUBST(CFLAGS) |
191 |
|
|
AC_SUBST(CXXFLAGS) |
192 |
|
|
AC_SUBST(CPPFLAGS) |
193 |
|
|
AC_SUBST(FFLAGS) |
194 |
|
|
AC_SUBST(F90FLAGS) |
195 |
|
|
AC_SUBST(LDFLAGS) |
196 |
|
|
AC_SUBST(PREPFLAG) |
197 |
|
|
AC_SUBST(PREPDEFFLAG) |
198 |
|
|
AC_CONFIG_HEADER([libmdtools/config.h]) |
199 |
|
|
AC_CONFIG_FILES([Makefile |
200 |
|
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
201 |
|
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
202 |
|
|
samples/alkane/Makefile samples/argon/Makefile |
203 |
|
|
samples/beadLipid/Makefile samples/lipid/Makefile |
204 |
|
|
samples/metals/Makefile samples/water/Makefile |
205 |
|
|
]) |
206 |
|
|
|
207 |
|
|
AC_OUTPUT |