| 1 |
dnl **** Process this file with autoconf to produce a configure script. |
| 2 |
|
| 3 |
AC_INIT(src/oopse.cpp) |
| 4 |
AC_CONFIG_AUX_DIR(ac-tools) |
| 5 |
|
| 6 |
AC_CONFIG_HEADER(config.h:ac-tools/config.h.in) |
| 7 |
|
| 8 |
AC_PREFIX_DEFAULT("/usr/local") |
| 9 |
|
| 10 |
builtin(include, ac-tools/aclocal.m4) |
| 11 |
|
| 12 |
dnl Checks for C compiler |
| 13 |
AC_PROG_RANLIB |
| 14 |
AC_PROG_YACC |
| 15 |
AC_PROG_LEX |
| 16 |
|
| 17 |
AC_SUBST(EXEEXT) |
| 18 |
AC_SUBST(OBJEXT) |
| 19 |
AC_SUBST(BATEXT) |
| 20 |
|
| 21 |
AC_SUBST(MKINSTALLDIRS) |
| 22 |
|
| 23 |
AC_SUBST(OOPSE) |
| 24 |
AC_SUBST(OOPSE_HOME) |
| 25 |
AC_SUBST(sprng_libdir) |
| 26 |
AC_SUBST(mpich_libdir) |
| 27 |
AC_SUBST(sprng_include) |
| 28 |
AC_SUBST(mpich_include) |
| 29 |
AC_SUBST(mpi_f90_mods) |
| 30 |
AC_SUBST(SUBDIRS) |
| 31 |
|
| 32 |
OOPSE=oopse |
| 33 |
|
| 34 |
dnl **** define home dir of oopse |
| 35 |
if test "x${prefix}" = "xNONE" |
| 36 |
then |
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OOPSE_HOME=${ac_default_prefix}/oopse |
| 38 |
else |
| 39 |
OOPSE_HOME=${prefix}/oopse |
| 40 |
fi |
| 41 |
AC_ARG_ENABLE(oopse-home, |
| 42 |
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
| 43 |
[OOPSE_HOME="${enableval}"]) |
| 44 |
|
| 45 |
dnl **** define C compiler |
| 46 |
CC=${CC-icc} |
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AC_ARG_WITH(cc, |
| 48 |
[ --with-cc=PROG use PROG as C compiler [${CC-icc}]], |
| 49 |
[CC="${withval}"]) |
| 50 |
AC_PROG_CC([icc gcc cc]) |
| 51 |
|
| 52 |
dnl **** define C compiler |
| 53 |
CXX=${CXX-icc} |
| 54 |
AC_ARG_WITH(cxx, |
| 55 |
[ --with-cxx=PROG use PROG as C++ compiler [${CXX-icc}]], |
| 56 |
[CXX="${withval}"]) |
| 57 |
AC_PROG_CXX([icc g++ c++]) |
| 58 |
|
| 59 |
dnl **** define Fortran compiler |
| 60 |
F77=${F77-ifc} |
| 61 |
AC_ARG_WITH(f77, |
| 62 |
[ --with-f77=PROG use PROG as Fortran compiler [${F77-ifc}]], |
| 63 |
[F77="${withval}"]) |
| 64 |
AC_PROG_F77([ifc f90]) |
| 65 |
|
| 66 |
dnl **** check if user wants to compile with debugging support |
| 67 |
AC_ARG_ENABLE(debug, |
| 68 |
[ --enable-debug turn on debugging [no]], |
| 69 |
[case "${enableval}" in |
| 70 |
yes) debug=true ;; |
| 71 |
no) debug=false ;; |
| 72 |
*) AC_MSG_ERROR(bad value ${enableval} for --enable-debug) ;; |
| 73 |
esac],[debug=false]) |
| 74 |
|
| 75 |
|
| 76 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 77 |
CFLAGS=${CFLAGS-""} |
| 78 |
FFLAGS=${FFLAGS-""} |
| 79 |
LDFLAGS=${LDFLAGS-""} |
| 80 |
OPTIMIZE=${OPTIMIZE-""} |
| 81 |
DEBUG=${DEBUG-""} |
| 82 |
|
| 83 |
|
| 84 |
dnl **** Check for host type |
| 85 |
AC_CANONICAL_HOST |
| 86 |
|
| 87 |
|
| 88 |
if test "x${CFLAGS}" = "x" |
| 89 |
then |
| 90 |
if test "x${GCC}" = "xyes" |
| 91 |
then |
| 92 |
dnl **** default settings for gcc |
| 93 |
DEBUG="-g -O2" |
| 94 |
OPTIMIZE="-O2" |
| 95 |
CFLAGS="-fno-common -Wall -pedantic -Wpointer-arith -Wnested-externs" |
| 96 |
|
| 97 |
dnl **** check for strength-reduce bug |
| 98 |
ACX_GCC_STRENGTH_REDUCE(CFLAGS="$CFLAGS -fno-strength-reduce") |
| 99 |
|
| 100 |
dnl **** some arch-specific optimizations/settings for gcc |
| 101 |
case "${host}" in |
| 102 |
i486-*) CPU_FLAGS="-m486";; |
| 103 |
i586-*) ACX_CHECK_CC_FLAGS(-mcpu=pentium,cpu_pentium, |
| 104 |
[CPU_FLAGS=-mcpu=pentium], |
| 105 |
[ACX_CHECK_CC_FLAGS(-mpentium,pentium, |
| 106 |
[CPU_FLAGS=-mpentium], [CPU_FLAGS=-m486])]) |
| 107 |
;; |
| 108 |
i686-*) ACX_CHECK_CC_FLAGS(-mcpu=pentiumpro,cpu_pentiumpro, |
| 109 |
[CPU_FLAGS=-mcpu=pentiumpro], |
| 110 |
[ACX_CHECK_CC_FLAGS(-mpentiumpro,pentiumpro, |
| 111 |
[CPU_FLAGS=-mpentiumpro], [CPU_FLAGS=-m486])]) |
| 112 |
;; |
| 113 |
esac |
| 114 |
|
| 115 |
CFLAGS="$CPU_FLAGS $CFLAGS" |
| 116 |
else |
| 117 |
case "${host}" in |
| 118 |
alpha*-dec-osf4.*) |
| 119 |
CFLAGS="-std1 -w0" |
| 120 |
OPTIMIZE="-O2" |
| 121 |
DEBUG="-g3 -O2" |
| 122 |
;; |
| 123 |
hppa*-hp-hpux*) |
| 124 |
CFLAGS="-Aa -D_HPUX_SOURCE" |
| 125 |
OPTIMIZE="-O" |
| 126 |
DEBUG="-g -O" |
| 127 |
;; |
| 128 |
mips-sgi-irix6.[[4-9]]*) |
| 129 |
CFLAGS="-w" |
| 130 |
OPTIMIZE="-O2 -OPT:Olimit=0" |
| 131 |
DEBUG="-g3 -O2 -OPT:Olimit=0" |
| 132 |
;; |
| 133 |
mips-sgi-irix*) |
| 134 |
CFLAGS="-fullwarn -woff 835" |
| 135 |
OPTIMIZE="-O2 -Olimit 3500" |
| 136 |
;; |
| 137 |
rs6000-ibm-aix*) |
| 138 |
CFLAGS="-D_ALL_SOURCE" |
| 139 |
OPTIMIZE="-O2" |
| 140 |
DEBUG="-g -O2" |
| 141 |
;; |
| 142 |
*) |
| 143 |
CFLAGS="" |
| 144 |
OPTIMIZE="-O" |
| 145 |
DEBUG="-g" |
| 146 |
;; |
| 147 |
esac |
| 148 |
fi |
| 149 |
fi |
| 150 |
|
| 151 |
case $debug in |
| 152 |
true) CFLAGS="$DEBUG $CFLAGS";; |
| 153 |
*) CFLAGS="$OPTIMIZE $CFLAGS";; |
| 154 |
esac |
| 155 |
|
| 156 |
dnl **** .exe/.obj file extensions |
| 157 |
AC_EXEEXT |
| 158 |
AC_OBJEXT |
| 159 |
|
| 160 |
OBJEXT=".$OBJEXT" |
| 161 |
|
| 162 |
AC_PROG_MAKE_SET |
| 163 |
|
| 164 |
dnl **** Checks for programs. |
| 165 |
AC_CHECK_PROG(AR, ar, ar, NONE) |
| 166 |
if test "$AR" = "NONE"; then |
| 167 |
AC_MSG_ERROR(--> Can't find \`ar'!) |
| 168 |
AC_CACHE_SAVE |
| 169 |
exit 1 |
| 170 |
fi |
| 171 |
|
| 172 |
AC_F77_LIBRARY_LDFLAGS |
| 173 |
|
| 174 |
case $F77 in |
| 175 |
ifc) fortran_machine_defs='Linux_ifc_machdep.$(O)' flibs_extra='-lPEPCF90' ;; |
| 176 |
*) echo $F77; AC_MSG_ERROR([currently only ifc is supported as the fortran compiler. See README for details]) ;; |
| 177 |
esac |
| 178 |
AC_SUBST([fortran_machine_defs]) |
| 179 |
AC_SUBST([flibs_extra]) |
| 180 |
|
| 181 |
AC_ARG_WITH(mpi_f90_mods, |
| 182 |
[ --with-mpi_f90_mods=<dir> specify the location of the MPI F90 |
| 183 |
modules (default is |
| 184 |
/usr/local/include/f90choice], |
| 185 |
[mpi_f90_mods="${withval}"], |
| 186 |
[mpi_f90_mods="/usr/local/include/f90choice"] ) |
| 187 |
AC_SUBST(mpi_f90_mods) |
| 188 |
if test -r $mpi_f90_mods/MPI.mod; then |
| 189 |
AC_DEFINE(USE_MPI_F90_MODS, 1, [define whether we have the MPI f90 modules]) |
| 190 |
else |
| 191 |
AC_MSG_ERROR(--> Can't find MPI f90 modules!) |
| 192 |
AC_CACHE_SAVE |
| 193 |
exit 1 |
| 194 |
fi |
| 195 |
|
| 196 |
AC_ARG_WITH(sprng_include, |
| 197 |
[ --with-sprng_include=<include dir> specify the location of the sprng |
| 198 |
headers (default is |
| 199 |
/usr/local/include/sprng)], |
| 200 |
[sprng_include="$withval"], |
| 201 |
[sprng_include="/usr/local/include/sprng"] ) |
| 202 |
AC_SUBST(sprng_include) |
| 203 |
AC_CHECK_HEADERS([$sprng_include/sprng.h], |
| 204 |
AC_DEFINE(USE_SPRNG, 1, [define whether we have the sprng libraries]), |
| 205 |
AC_MSG_ERROR(sprng header files not found.)) |
| 206 |
|
| 207 |
AC_ARG_WITH(sprng_libdir, |
| 208 |
[ --with-sprng_libdir=<library dir> specify the location of the sprng |
| 209 |
libraries (default is |
| 210 |
/usr/local/lib)], |
| 211 |
[sprng_libdir="$withval"], |
| 212 |
[sprng_libdir="/usr/local/lib"] ) |
| 213 |
AC_SUBST(sprng_libdir) |
| 214 |
AC_CHECK_FILE([$sprng_libdir/libsprng.a],, |
| 215 |
AC_MSG_ERROR(libsprng.a not found.)) |
| 216 |
|
| 217 |
AC_ARG_WITH(mpich_include, |
| 218 |
[ --with-mpich_include=<include dir> specify the location of the mpich |
| 219 |
headers (default is |
| 220 |
/usr/local/include)], |
| 221 |
[mpich_include="$withval"], |
| 222 |
[mpich_include="/usr/local/include"] ) |
| 223 |
AC_SUBST(mpich_include) |
| 224 |
AC_CHECK_HEADERS([$mpich_include/mpi.h], |
| 225 |
AC_DEFINE(HAVE_MPICH, 1, [define whether we have the mpich libraries]), |
| 226 |
AC_MSG_ERROR(mpich header files not found.)) |
| 227 |
|
| 228 |
AC_ARG_WITH(mpich_libdir, |
| 229 |
[ --with-mpich_libdir=<library dir> specify the location of the mpich |
| 230 |
libraries (default is /usr/local/lib)], |
| 231 |
[mpich_libdir="$withval"], |
| 232 |
[mpich_libdir="/usr/local/lib"] ) |
| 233 |
AC_SUBST(mpich_libdir) |
| 234 |
AC_CHECK_FILE([$mpich_libdir/libmpich.a],, |
| 235 |
AC_MSG_ERROR(libmpi.a not found.)) |
| 236 |
|
| 237 |
|
| 238 |
AC_PROG_INSTALL |
| 239 |
case "x$INSTALL" in |
| 240 |
x/*) ;; |
| 241 |
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
| 242 |
esac |
| 243 |
|
| 244 |
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 245 |
|
| 246 |
dnl **** Final list of subdirs |
| 247 |
SUBDIRS="libBASS libmdtools src forceFields" |
| 248 |
|
| 249 |
dnl **** Create Make.conf |
| 250 |
AC_OUTPUT(Make.conf:ac-tools/Make.conf.in) |
