| 1 |
dnl **** Process this file with autoconf to produce a configure script. |
| 2 |
AC_PREREQ(2.68) |
| 3 |
AC_INIT(OpenMD, 2.0, gezelter@nd.edu) |
| 4 |
AC_CONFIG_AUX_DIR(ac-tools) |
| 5 |
AC_CONFIG_SRCDIR([src/applications/openmd/openmd.cpp]) |
| 6 |
AC_CONFIG_HEADER([src/config.h]) |
| 7 |
|
| 8 |
builtin(include, ac-tools/OpenMD.m4) |
| 9 |
builtin(include, ac-tools/AC_CXX_HAVE_STL.m4) |
| 10 |
builtin(include, ac-tools/AC_CXX_NAMESPACES.m4) |
| 11 |
builtin(include, ac-tools/AC_CXX_STD.m4) |
| 12 |
builtin(include, ac-tools/ax_mpi.m4) |
| 13 |
|
| 14 |
# who am i |
| 15 |
AC_CANONICAL_HOST |
| 16 |
|
| 17 |
AC_PREFIX_DEFAULT("/usr/local") |
| 18 |
|
| 19 |
# set program name |
| 20 |
PROGNAME="openmd" |
| 21 |
AC_SUBST(PROGNAME) |
| 22 |
|
| 23 |
AC_EXEEXT |
| 24 |
AC_OBJEXT |
| 25 |
OBJEXT=".$OBJEXT" |
| 26 |
|
| 27 |
OPENMD=openmd |
| 28 |
|
| 29 |
dnl **** define home dir of OpenMD |
| 30 |
if test "x${prefix}" = "xNONE" |
| 31 |
then |
| 32 |
OPENMD_HOME=${ac_default_prefix}/openmd |
| 33 |
else |
| 34 |
OPENMD_HOME=${prefix}/openmd |
| 35 |
fi |
| 36 |
AC_ARG_ENABLE(openmd-home, |
| 37 |
[ --enable-openmd-home=DIR define OpenMD home dir [PREFIX/openmd]], |
| 38 |
[OPENMD_HOME="${enableval}"]) |
| 39 |
|
| 40 |
# there are two ways to do debugging. One with the --enable-debug flag |
| 41 |
# and one using the DEBUG environment variable |
| 42 |
|
| 43 |
debug=0 |
| 44 |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OpenMD in debug mode]), [debug=1]) |
| 45 |
if test "${DEBUG}"; then |
| 46 |
AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
| 47 |
msg="$msg, debug mode" |
| 48 |
fi |
| 49 |
AC_SUBST(debug) |
| 50 |
|
| 51 |
AC_ARG_ENABLE(single, [AC_HELP_STRING([--enable-single],[compile OpenMD in single precision])], ok=$enableval, ok=no) |
| 52 |
AC_ARG_ENABLE(float, [AC_HELP_STRING([--enable-float],[synonym for --enable-single])], ok=$enableval) |
| 53 |
if test "$ok" = "yes"; then |
| 54 |
AC_DEFINE(SINGLE_PRECISION,1,[Define to compile in single precision.]) |
| 55 |
USE_SINGLE_PRECISION=yes |
| 56 |
AC_SUBST(USE_SINGLE_PRECISION) |
| 57 |
fi |
| 58 |
|
| 59 |
AC_PROG_CXX([$CXX icpc pathCC pgCC c++ xlc++ xlC g++ CC]) |
| 60 |
AC_PROG_CC([$CC icc pathcc pgcc cc xlc gcc]) |
| 61 |
|
| 62 |
save_CXX=$CXX |
| 63 |
save_CC=$CC |
| 64 |
save_LIBS=$LIBS |
| 65 |
|
| 66 |
AC_LANG([C++]) |
| 67 |
AC_CHECK_LIB(c, dlopen, LIBDL="", [AC_CHECK_LIB(dl, dlopen, LIBDL="-ldl")]) |
| 68 |
AC_SUBST(LIBDL) |
| 69 |
AX_MPI([USE_MPI="yes"], |
| 70 |
[USE_MPI="no" |
| 71 |
AC_MSG_WARN([No suitable C++ MPI implementation found. openmd_MPI will not be built.])]) |
| 72 |
AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
| 73 |
AC_LANG([C]) |
| 74 |
AX_MPI([USE_MPI="yes"], |
| 75 |
[USE_MPI="no" |
| 76 |
AC_MSG_WARN([No suitable C MPI implementation found. openmd_MPI will not be built.])]) |
| 77 |
]) |
| 78 |
AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
| 79 |
CXX=$MPICXX |
| 80 |
CC=$MPICC |
| 81 |
LIBS="$MPILIBS $LIBS" |
| 82 |
],[ |
| 83 |
CXX=$save_CXX |
| 84 |
CC=$save_CC |
| 85 |
LIBS=$save_LIBS |
| 86 |
] |
| 87 |
) |
| 88 |
AC_SUBST(USE_MPI) |
| 89 |
|
| 90 |
# Checks for programs. |
| 91 |
AC_PROG_CPP |
| 92 |
AC_PROG_EGREP |
| 93 |
AC_PROG_LN_S |
| 94 |
AC_PROG_MAKE_SET |
| 95 |
AC_PROG_RANLIB |
| 96 |
AX_SYS_PERLSHARPBANG |
| 97 |
AC_PROG_INSTALL |
| 98 |
case "x$INSTALL" in |
| 99 |
x/*) ;; |
| 100 |
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
| 101 |
esac |
| 102 |
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f -m 755" |
| 103 |
AC_CHECK_PROG(AR, ar, ar, NONE) |
| 104 |
if test "$AR" = "NONE"; then |
| 105 |
AC_CACHE_SAVE |
| 106 |
exit 1 |
| 107 |
fi |
| 108 |
|
| 109 |
dnl Checks for libraries. |
| 110 |
ACX_CHECK_ZLIB |
| 111 |
ACX_CHECK_FFTW |
| 112 |
ACX_CHECK_QHULL |
| 113 |
ACX_CHECK_OPENBABEL |
| 114 |
|
| 115 |
# Checks for header files. |
| 116 |
AC_CHECK_HEADERS([limits.h stdlib.h string.h sys/ioctl.h unistd.h]) |
| 117 |
|
| 118 |
# Checks for typedefs, structures, and compiler characteristics. |
| 119 |
AC_HEADER_STDBOOL |
| 120 |
AC_C_INLINE |
| 121 |
AC_TYPE_SIZE_T |
| 122 |
|
| 123 |
# Checks for library functions. |
| 124 |
AC_FUNC_MALLOC |
| 125 |
AC_FUNC_REALLOC |
| 126 |
AC_FUNC_STRTOD |
| 127 |
AC_CHECK_FUNCS([atexit floor pow select sqrt strcasecmp strchr strdup strncasecmp strstr strtol strtoull]) |
| 128 |
|
| 129 |
dnl check for strong optimization options |
| 130 |
|
| 131 |
case $debug in |
| 132 |
1) |
| 133 |
;; |
| 134 |
*) |
| 135 |
ACX_PROG_CC_MAXOPT |
| 136 |
ACX_PROG_CXX_MAXOPT |
| 137 |
;; |
| 138 |
esac |
| 139 |
|
| 140 |
BB_ENABLE_DOXYGEN |
| 141 |
|
| 142 |
AC_SUBST(EXEEXT) |
| 143 |
AC_SUBST(OBJEXT) |
| 144 |
AC_SUBST(BATEXT) |
| 145 |
AC_SUBST(MKINSTALLDIRS) |
| 146 |
AC_SUBST(OPENMD) |
| 147 |
AC_SUBST(OPENMD_HOME) |
| 148 |
AC_SUBST(SUBDIRS) |
| 149 |
AC_SUBST(CFLAGS) |
| 150 |
AC_SUBST(CXXFLAGS) |
| 151 |
AC_SUBST(CPPFLAGS) |
| 152 |
AC_SUBST(LDFLAGS) |
| 153 |
AC_CONFIG_FILES([make/Makefile src/utils/Makefile src/math/Makefile src/integrators/Makefile src/applications/atom2md/Makefile scripts/filepp], [chmod 0755 scripts/*]) |
| 154 |
|
| 155 |
AC_OUTPUT |
