| 1 |
dnl **** Process this file with autoconf to produce a configure script. |
| 2 |
|
| 3 |
AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse) |
| 4 |
AC_CONFIG_AUX_DIR(ac-tools) |
| 5 |
|
| 6 |
builtin(include, ac-tools/fortran90.m4) |
| 7 |
builtin(include, ac-tools/aclocal.m4) |
| 8 |
|
| 9 |
|
| 10 |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
| 11 |
|
| 12 |
AC_PREFIX_DEFAULT("/usr/local") |
| 13 |
|
| 14 |
# what should I build? |
| 15 |
|
| 16 |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [DEBUG=1]) |
| 17 |
|
| 18 |
# set program name |
| 19 |
PROGNAME="oopse" |
| 20 |
AC_SUBST(PROGNAME) |
| 21 |
|
| 22 |
if test "${DEBUG}"; then |
| 23 |
AC_DEFINE(DEBUG, 1, [Code compiled in debug mode]) |
| 24 |
msg="$msg, debug mode" |
| 25 |
fi |
| 26 |
AC_SUBST(DEBUG) |
| 27 |
|
| 28 |
# who am i |
| 29 |
AC_CANONICAL_HOST |
| 30 |
|
| 31 |
dnl Checks for programs. |
| 32 |
AC_PROG_CC([icc xlc gcc cc]) |
| 33 |
ACX_PROG_CC_MAXOPT |
| 34 |
AC_PROG_CXX([icpc icc xlC g++ c++]) |
| 35 |
ACX_PROG_CXX_MAXOPT |
| 36 |
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
| 37 |
ACX_PROG_F90_MAXOPT |
| 38 |
ACX_PROG_F90_PREPFLAG |
| 39 |
ACX_PROG_F90_PREPDEFFLAG |
| 40 |
AC_PROG_INSTALL |
| 41 |
AC_PROG_LN_S |
| 42 |
AC_PROG_MAKE_SET |
| 43 |
AC_PROG_RANLIB |
| 44 |
AC_PROG_YACC |
| 45 |
AC_PROG_LEX |
| 46 |
AC_CHECK_PROG(AR, ar, ar, NONE) |
| 47 |
if test "$AR" = "NONE"; then |
| 48 |
AC_MSG_ERROR(--> Can't find \`ar'!) |
| 49 |
AC_CACHE_SAVE |
| 50 |
exit 1 |
| 51 |
fi |
| 52 |
|
| 53 |
AC_LANG_PUSH(Fortran 90) |
| 54 |
AC_LANG_PREPROC(Fortran 90) |
| 55 |
AC_F90_LIBRARY_LDFLAGS |
| 56 |
dnl how Fortran mangles function names |
| 57 |
AC_F90_WRAPPERS |
| 58 |
AC_SUBST(F90_FUNC) |
| 59 |
AC_SUBST(F90_FUNC_) |
| 60 |
|
| 61 |
AC_MSG_CHECKING([for mpi-directory]) |
| 62 |
AC_ARG_WITH(MPI_DIR, |
| 63 |
[ --with-mpi-dir=MPIDIR give the path for MPI [/usr/local]], |
| 64 |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
| 65 |
AC_MSG_RESULT([$MPI_DIR]) |
| 66 |
AC_SUBST([MPI_DIR]) |
| 67 |
|
| 68 |
AC_MSG_CHECKING([for mpi-lib-directory]) |
| 69 |
AC_ARG_WITH(MPI_LIBDIR, |
| 70 |
[ --with-mpi-lib-dir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
| 71 |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
| 72 |
AC_MSG_RESULT([$MPI_LIBDIR]) |
| 73 |
AC_SUBST([MPI_LIBDIR]) |
| 74 |
|
| 75 |
AC_MSG_CHECKING([for mpi-inc-directory]) |
| 76 |
AC_ARG_WITH(MPI_INC, |
| 77 |
[ --with-mpi-inc-dir=dir give the path for MPI-include-files [MPI_DIR/include]], |
| 78 |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
| 79 |
AC_MSG_RESULT([$MPI_INC]) |
| 80 |
AC_SUBST([MPI_INC]) |
| 81 |
|
| 82 |
|
| 83 |
AC_MSG_CHECKING([for MPI library]) |
| 84 |
MPI_LIB="" |
| 85 |
case "$host" in |
| 86 |
*-ibm-aix*) dnl IBM/SP2 machines |
| 87 |
dnl checking whether to use signal-based MPI |
| 88 |
|
| 89 |
AC_MSG_CHECKING([whether to use signal-based MPI library]) |
| 90 |
AC_MSG_RESULT([$PACX_SIGNAL]) |
| 91 |
if test "x$PACX_SIGNAL" = "xyes" ; then |
| 92 |
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 "$MPI_LIBDIR/libmpich.a" ; then |
| 97 |
MPI_LIB="-lmpich" |
| 98 |
else |
| 99 |
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
| 100 |
fi |
| 101 |
else |
| 102 |
if test -f "$MPI_LIBDIR/libmpi_r.a" ; then |
| 103 |
MPI_LIB="-lmpi_r" |
| 104 |
else |
| 105 |
AC_MSG_ERROR([libmpi_r not found; check path for MPI package...]) |
| 106 |
fi |
| 107 |
fi |
| 108 |
AC_MSG_RESULT(found $MPI_LIB) |
| 109 |
;; |
| 110 |
*) dnl All other machines |
| 111 |
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
| 112 |
MPI_LIB="-lmpi" |
| 113 |
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
| 114 |
MPI_LIB="-lmpi" |
| 115 |
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
| 116 |
MPI_LIB="-lmpich" |
| 117 |
else |
| 118 |
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
| 119 |
fi |
| 120 |
AC_MSG_RESULT(found $MPI_LIB) |
| 121 |
;; |
| 122 |
esac |
| 123 |
AC_SUBST(MPI_LIB) |
| 124 |
|
| 125 |
ACX_MPI |
| 126 |
|
| 127 |
AM_PATH_SPRNG |
| 128 |
CHECK_MKL |
| 129 |
AC_CHECK_MPI_F90MOD |
| 130 |
|
| 131 |
case $F90 in |
| 132 |
ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' ;; |
| 133 |
*) fortran_machine_defs='' ;; |
| 134 |
esac |
| 135 |
AC_SUBST([fortran_machine_defs]) |
| 136 |
|
| 137 |
AC_EXEEXT |
| 138 |
AC_OBJEXT |
| 139 |
OBJEXT=".$OBJEXT" |
| 140 |
|
| 141 |
OOPSE=oopse |
| 142 |
|
| 143 |
dnl **** define home dir of oopse |
| 144 |
if test "x${prefix}" = "xNONE" |
| 145 |
then |
| 146 |
OOPSE_HOME=${ac_default_prefix}/oopse |
| 147 |
else |
| 148 |
OOPSE_HOME=${prefix}/oopse |
| 149 |
fi |
| 150 |
AC_ARG_ENABLE(oopse-home, |
| 151 |
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
| 152 |
[OOPSE_HOME="${enableval}"]) |
| 153 |
|
| 154 |
case "x$INSTALL" in |
| 155 |
x/*) ;; |
| 156 |
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
| 157 |
esac |
| 158 |
|
| 159 |
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 160 |
|
| 161 |
dnl **** Final list of subdirs |
| 162 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder" |
| 163 |
|
| 164 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 165 |
#CFLAGS=${CFLAGS-""} |
| 166 |
#CXXFLAGS=${CXXFLAGS-""} |
| 167 |
#CPPFLAGS=${CPPFLAGS-""} |
| 168 |
#FFLAGS=${FFLAGS-""} |
| 169 |
#LDFLAGS=${LDFLAGS-""} |
| 170 |
#OPTIMIZE=${OPTIMIZE-"-O"} |
| 171 |
#DEBUG=${DEBUG-"-g"} |
| 172 |
|
| 173 |
case $debug in |
| 174 |
true) |
| 175 |
CFLAGS="$DEBUG $CFLAGS" |
| 176 |
CXXFLAGS="$DEBUG $CXXFLAGS" |
| 177 |
FFLAGS="$DEBUG $FFLAGS" |
| 178 |
F90FLAGS="$DEBUG $F90FLAGS" |
| 179 |
;; |
| 180 |
*) |
| 181 |
CFLAGS="$OPTIMIZE $CFLAGS" |
| 182 |
CXXFLAGS="$OPTIMIZE $CXXFLAGS" |
| 183 |
FFLAGS="$OPTIMIZE $FFLAGS" |
| 184 |
F90FLAGS="$OPTIMIZE $F90FLAGS" |
| 185 |
;; |
| 186 |
esac |
| 187 |
|
| 188 |
|
| 189 |
AC_SUBST(EXEEXT) |
| 190 |
AC_SUBST(OBJEXT) |
| 191 |
AC_SUBST(BATEXT) |
| 192 |
AC_SUBST(MKINSTALLDIRS) |
| 193 |
AC_SUBST(OOPSE) |
| 194 |
AC_SUBST(OOPSE_HOME) |
| 195 |
AC_SUBST(SUBDIRS) |
| 196 |
AC_SUBST(CFLAGS) |
| 197 |
AC_SUBST(CXXFLAGS) |
| 198 |
AC_SUBST(CPPFLAGS) |
| 199 |
AC_SUBST(FFLAGS) |
| 200 |
AC_SUBST(F90FLAGS) |
| 201 |
AC_SUBST(LDFLAGS) |
| 202 |
AC_SUBST(PREPFLAG) |
| 203 |
AC_SUBST(PREPDEFFLAG) |
| 204 |
AC_CONFIG_HEADER([libmdtools/config.h]) |
| 205 |
AC_CONFIG_FILES([Makefile |
| 206 |
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
| 207 |
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
| 208 |
samples/alkane/Makefile samples/argon/Makefile |
| 209 |
samples/beadLipid/Makefile samples/lipid/Makefile |
| 210 |
samples/metals/Makefile samples/water/Makefile |
| 211 |
]) |
| 212 |
|
| 213 |
AC_OUTPUT |
