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gezelter |
2 |
dnl **** Process this file with autoconf to produce a configure script. |
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gezelter |
847 |
AC_PREREQ(2.59) |
3 |
gezelter |
1390 |
AC_INIT(OpenMD, 1.0, gezelter@nd.edu, openmd) |
4 |
gezelter |
2 |
AC_CONFIG_AUX_DIR(ac-tools) |
5 |
gezelter |
1390 |
AC_CONFIG_SRCDIR([src/applications/openmd/openmd.cpp]) |
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gezelter |
847 |
AC_CONFIG_HEADER([src/config.h]) |
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gezelter |
2 |
|
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gezelter |
1390 |
builtin(include, ac-tools/OpenMD.m4) |
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gezelter |
811 |
builtin(include, ac-tools/AC_CXX_HAVE_STL.m4) |
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builtin(include, ac-tools/AC_CXX_NAMESPACES.m4) |
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builtin(include, ac-tools/AC_CXX_STD.m4) |
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gezelter |
1372 |
builtin(include, ac-tools/ax_mpi.m4) |
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gezelter |
2 |
|
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gezelter |
847 |
# who am i |
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AC_CANONICAL_HOST |
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gezelter |
2 |
|
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AC_PREFIX_DEFAULT("/usr/local") |
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# set program name |
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gezelter |
1390 |
PROGNAME="openmd" |
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gezelter |
2 |
AC_SUBST(PROGNAME) |
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|
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gezelter |
847 |
AC_EXEEXT |
24 |
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AC_OBJEXT |
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OBJEXT=".$OBJEXT" |
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|
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gezelter |
1390 |
OPENMD=openmd |
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gezelter |
847 |
|
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gezelter |
1390 |
dnl **** define home dir of OpenMD |
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gezelter |
847 |
if test "x${prefix}" = "xNONE" |
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then |
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gezelter |
1390 |
OPENMD_HOME=${ac_default_prefix}/openmd |
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gezelter |
847 |
else |
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gezelter |
1390 |
OPENMD_HOME=${prefix}/openmd |
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gezelter |
847 |
fi |
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gezelter |
1390 |
AC_ARG_ENABLE(openmd-home, |
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|
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[ --enable-openmd-home=DIR define OpenMD home dir [PREFIX/openmd]], |
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[OPENMD_HOME="${enableval}"]) |
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gezelter |
847 |
|
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gezelter |
2 |
# there are two ways to do debugging. One with the --enable-debug flag |
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# and one using the DEBUG environment variable |
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debug=0 |
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gezelter |
1390 |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OpenMD in debug mode]), [debug=1]) |
45 |
gezelter |
2 |
if test "${DEBUG}"; then |
46 |
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AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
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msg="$msg, debug mode" |
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fi |
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AC_SUBST(debug) |
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|
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gezelter |
1390 |
AC_ARG_ENABLE(single, [AC_HELP_STRING([--enable-single],[compile OpenMD in single precision])], ok=$enableval, ok=no) |
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gezelter |
961 |
AC_ARG_ENABLE(float, [AC_HELP_STRING([--enable-float],[synonym for --enable-single])], ok=$enableval) |
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if test "$ok" = "yes"; then |
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AC_DEFINE(SINGLE_PRECISION,1,[Define to compile in single precision.]) |
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gezelter |
962 |
USE_SINGLE_PRECISION=yes |
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AC_SUBST(USE_SINGLE_PRECISION) |
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gezelter |
961 |
fi |
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|
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gezelter |
1396 |
AC_PROG_CXX([$CXX icpc pathCC pgCC c++ xlc++ xlC g++ CC]) |
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|
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AC_PROG_CC([$CC icc pathcc pgcc cc xlc gcc]) |
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AC_PROG_FC([$FC ifort ifc pathf95 pgf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort], 95) |
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gezelter |
1225 |
|
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gezelter |
1396 |
save_CXX=$CXX |
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save_CC=$CC |
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save_FC=$FC |
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save_LIBS=$LIBS |
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gezelter |
1225 |
|
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gezelter |
1372 |
AC_LANG([C++]) |
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gezelter |
1399 |
AC_CHECK_LIB(c, dlopen, LIBDL="", [AC_CHECK_LIB(dl, dlopen, LIBDL="-ldl")]) |
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AC_SUBST(LIBDL) |
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gezelter |
1372 |
AX_MPI([USE_MPI="yes"], |
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[USE_MPI="no" |
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gezelter |
1390 |
AC_MSG_WARN([No suitable C++ MPI implementation found. openmd_MPI will not be built.])]) |
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gezelter |
1372 |
AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
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AC_LANG([C]) |
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AX_MPI([USE_MPI="yes"], |
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[USE_MPI="no" |
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gezelter |
1390 |
AC_MSG_WARN([No suitable C MPI implementation found. openmd_MPI will not be built.])]) |
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gezelter |
1372 |
]) |
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AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
81 |
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AC_LANG([Fortran]) |
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AX_MPI([USE_MPI="yes"], |
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[USE_MPI="no" |
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gezelter |
1390 |
AC_MSG_WARN([No suitable Fortran MPI implementation found. openmd_MPI will not be built.])]) |
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gezelter |
1372 |
]) |
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AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
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CXX=$MPICXX |
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CC=$MPICC |
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FC=$MPIFC |
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gezelter |
1396 |
LIBS="$MPILIBS $LIBS" |
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],[ |
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CXX=$save_CXX |
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CC=$save_CC |
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FC=$save_FC |
95 |
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LIBS=$save_LIBS |
96 |
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] |
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) |
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gezelter |
1225 |
AC_SUBST(USE_MPI) |
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|
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gezelter |
847 |
# Checks for programs. |
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gezelter |
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AC_PROG_CPP |
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AC_PROG_EGREP |
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gezelter |
847 |
AC_PROG_LN_S |
104 |
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AC_PROG_MAKE_SET |
105 |
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AC_PROG_RANLIB |
106 |
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AX_SYS_PERLSHARPBANG |
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AC_PROG_INSTALL |
108 |
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case "x$INSTALL" in |
109 |
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x/*) ;; |
110 |
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*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
111 |
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esac |
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gezelter |
1395 |
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f -m 755" |
113 |
gezelter |
847 |
AC_CHECK_PROG(AR, ar, ar, NONE) |
114 |
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if test "$AR" = "NONE"; then |
115 |
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AC_CACHE_SAVE |
116 |
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exit 1 |
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gezelter |
2 |
fi |
118 |
gezelter |
847 |
AC_PATH_PROG(PS, ps) |
119 |
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AC_CACHE_CHECK([for POSIX or BSD ps syntax], ac_cv_prog_ps_syntax, [ |
120 |
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if $PS ax -o rss > /dev/null 2>&1; then |
121 |
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ac_cv_prog_ps_ax=yes |
122 |
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else |
123 |
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ac_cv_prog_ps_ax=no |
124 |
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fi |
125 |
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if $PS -ef -o rss > /dev/null 2>&1; then |
126 |
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ac_cv_prog_ps_ef=yes |
127 |
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else |
128 |
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ac_cv_prog_ps_ef=no |
129 |
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fi |
130 |
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if test "$ac_cv_prog_ps_ax" = yes; then |
131 |
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ac_cv_prog_ps_syntax=BSD |
132 |
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else |
133 |
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if test "$ac_cv_prog_ps_ef" = yes; then |
134 |
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ac_cv_prog_ps_syntax=POSIX |
135 |
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else |
136 |
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AC_MSG_ERROR(Could not determine ps syntax) |
137 |
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fi |
138 |
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fi |
139 |
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]) |
140 |
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AC_DEFINE_UNQUOTED(PSCOMMAND, $PS, [Path to ps program]) |
141 |
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if test "$ac_cv_prog_ps_syntax" = BSD; then |
142 |
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AC_DEFINE(PSTYPE_IS_BSD, 1, [ps uses BSD-style arguments]) |
143 |
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else |
144 |
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if test "$ac_cv_prog_ps_syntax" = POSIX; then |
145 |
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AC_DEFINE(PSTYPE_IS_POSIX, 1, [ps uses POSIX-style arguments]) |
146 |
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else |
147 |
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AC_MSG_ERROR(Unknown ps syntax type!) |
148 |
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fi |
149 |
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fi |
150 |
gezelter |
2 |
|
151 |
gezelter |
847 |
AC_LANG_PUSH(Fortran) |
152 |
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AC_FC_SRCEXT(F90) |
153 |
gezelter |
2 |
dnl Check the flag for Fortran90 preprocessing |
154 |
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ACX_PROG_F90_PREPFLAG |
155 |
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dnl Check to see if a flag is required for preprocessing defines |
156 |
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ACX_PROG_F90_PREPDEFFLAG |
157 |
gezelter |
847 |
AC_FC_WRAPPERS |
158 |
|
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AC_SUBST(FC_FUNC) |
159 |
|
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AC_SUBST(FC_FUNC_) |
160 |
|
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AC_FC_LIBRARY_LDFLAGS |
161 |
gezelter |
2 |
dnl Fortran 90 module suffix |
162 |
|
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AC_CHECK_MODSUFFIX |
163 |
|
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dnl Fortran 90 module path specifier |
164 |
|
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AC_CHECK_MODDIRFLAG |
165 |
gezelter |
44 |
AC_F90_MODULE_NAMES |
166 |
|
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pat=`echo $ac_cv_f90_module_names | sed 's/.*\(%.*%\).*/\1/'` |
167 |
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F90_MODULE_NAMES=empty |
168 |
|
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case $pat in |
169 |
|
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%MODULE%) |
170 |
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F90_MODULE_NAMES=UPPER ;; |
171 |
|
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%Module%) |
172 |
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F90_MODULE_NAMES=Mixed ;; |
173 |
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%module%) |
174 |
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F90_MODULE_NAMES=lower ;; |
175 |
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*) |
176 |
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F90_MODULE_NAMES=unknown ;; |
177 |
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esac |
178 |
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AC_SUBST(F90_MODULE_NAMES) |
179 |
gezelter |
2 |
AC_LANG_POP |
180 |
|
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|
181 |
gezelter |
847 |
AC_LANG_C |
182 |
gezelter |
811 |
|
183 |
gezelter |
753 |
dnl Checks for libraries. |
184 |
|
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AC_CHECK_LIB(m, asin, , exit) |
185 |
gezelter |
847 |
ACX_CHECK_ZLIB |
186 |
gezelter |
957 |
ACX_CHECK_FFTW |
187 |
chuckv |
1200 |
ACX_CHECK_QHULL |
188 |
gezelter |
1210 |
ACX_CHECK_OPENBABEL |
189 |
gezelter |
753 |
|
190 |
gezelter |
847 |
# Checks for header files. |
191 |
|
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AC_HEADER_STDC |
192 |
gezelter |
1226 |
AC_CHECK_HEADERS([libintl.h limits.h machine/hal_sysinfo.h stdlib.h string.h strings.h sys/param.h sys/pstat.h sys/sysctl.h sys/sysinfo.h sys/sysmp.h sys/systemcfg.h sys/table.h sys/time.h unistd.h]) |
193 |
gezelter |
847 |
|
194 |
|
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# Checks for typedefs, structures, and compiler characteristics. |
195 |
|
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AC_HEADER_STDBOOL |
196 |
|
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AC_C_CONST |
197 |
|
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AC_C_INLINE |
198 |
|
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AC_TYPE_SIZE_T |
199 |
|
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AC_HEADER_TIME |
200 |
|
|
|
201 |
|
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# Checks for library functions. |
202 |
|
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AC_FUNC_MALLOC |
203 |
|
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AC_FUNC_REALLOC |
204 |
|
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AC_FUNC_SELECT_ARGTYPES |
205 |
|
|
AC_FUNC_STRTOD |
206 |
gezelter |
1226 |
AC_CHECK_FUNCS([floor getpagesize gettimeofday memset pow pstat_getdynamic pstat_getstatic select sqrt strcasecmp strchr strdup stricmp strncasecmp strnicmp strstr strtol sysmp getsysinfo sysctl table]) |
207 |
gezelter |
847 |
|
208 |
tim |
313 |
# special check for _system_configuration because AIX <4.3.2 do not |
209 |
|
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# contain the `physmem' member. |
210 |
|
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AC_MSG_CHECKING([for external symbol _system_configuration]) |
211 |
|
|
AC_TRY_COMPILE([#include <sys/systemcfg.h>], |
212 |
|
|
[double x = _system_configuration.physmem;], |
213 |
|
|
[AC_MSG_RESULT([yes]) |
214 |
|
|
AC_DEFINE(HAVE__SYSTEM_CONFIGURATION, 1, |
215 |
|
|
[Define if you have the _system_configuration variable.])], |
216 |
|
|
[AC_MSG_RESULT([no])]) |
217 |
|
|
|
218 |
gezelter |
847 |
dnl check for strong optimization options |
219 |
gezelter |
345 |
|
220 |
gezelter |
847 |
case $debug in |
221 |
|
|
1) |
222 |
|
|
;; |
223 |
|
|
*) |
224 |
|
|
ACX_PROG_FC_MAXOPT |
225 |
|
|
ACX_PROG_CC_MAXOPT |
226 |
|
|
ACX_PROG_CXX_MAXOPT |
227 |
|
|
;; |
228 |
|
|
esac |
229 |
|
|
|
230 |
gezelter |
49 |
BB_ENABLE_DOXYGEN |
231 |
gezelter |
2 |
|
232 |
|
|
AC_SUBST(EXEEXT) |
233 |
|
|
AC_SUBST(OBJEXT) |
234 |
|
|
AC_SUBST(BATEXT) |
235 |
|
|
AC_SUBST(MKINSTALLDIRS) |
236 |
gezelter |
1390 |
AC_SUBST(OPENMD) |
237 |
|
|
AC_SUBST(OPENMD_HOME) |
238 |
gezelter |
2 |
AC_SUBST(SUBDIRS) |
239 |
|
|
AC_SUBST(CFLAGS) |
240 |
|
|
AC_SUBST(CXXFLAGS) |
241 |
|
|
AC_SUBST(CPPFLAGS) |
242 |
gezelter |
847 |
AC_SUBST(FCFLAGS) |
243 |
gezelter |
2 |
AC_SUBST(LDFLAGS) |
244 |
|
|
AC_SUBST(PREPDEFFLAG) |
245 |
gezelter |
44 |
AC_SUBST(F90_MODULE_NAMES) |
246 |
skuang |
1298 |
AC_CONFIG_FILES([make/Makefile src/utils/Makefile src/math/Makefile src/integrators/Makefile src/applications/atom2md/Makefile scripts/filepp], [chmod 0755 scripts/*]) |
247 |
gezelter |
2 |
|
248 |
|
|
AC_OUTPUT |