| 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 |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
| 10 |
|
| 11 |
AC_PREFIX_DEFAULT("/usr/local") |
| 12 |
|
| 13 |
# set program name |
| 14 |
PROGNAME="oopse" |
| 15 |
AC_SUBST(PROGNAME) |
| 16 |
|
| 17 |
# there are two ways to do debugging. One with the --enable-debug flag |
| 18 |
# and one using the DEBUG environment variable |
| 19 |
|
| 20 |
debug=0 |
| 21 |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1]) |
| 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 C compiler |
| 32 |
AC_PROG_CC([icc xlc gcc cc]) |
| 33 |
|
| 34 |
dnl Checks for C++ compiler |
| 35 |
AC_PROG_CXX([icpc icc xlc++ xlC CC g++ c++]) |
| 36 |
|
| 37 |
dnl If we are not running g++ then we might need some other flags |
| 38 |
dnl to get the templates compiled correctly |
| 39 |
OOPSE_TEMPLATE_FLAGS="" |
| 40 |
if test $ac_cv_prog_gxx = no; then |
| 41 |
AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink]) |
| 42 |
echo 'void f(){}' > conftest.cc |
| 43 |
if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then |
| 44 |
AC_MSG_RESULT(yes) |
| 45 |
OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink" |
| 46 |
else |
| 47 |
AC_MSG_RESULT(no) |
| 48 |
fi |
| 49 |
rm -f conftest* |
| 50 |
AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static]) |
| 51 |
echo 'void f(){}' > conftest.cc |
| 52 |
if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then |
| 53 |
AC_MSG_RESULT(yes) |
| 54 |
OOPSE_TEMPLATE_FLAGS="-instances=static" |
| 55 |
else |
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AC_MSG_RESULT(no) |
| 57 |
fi |
| 58 |
rm -f conftest* |
| 59 |
AC_MSG_CHECKING([checking whether ${CXX} accepts -pto]) |
| 60 |
echo 'void f(){}' > conftest.cc |
| 61 |
if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then |
| 62 |
AC_MSG_RESULT(yes) |
| 63 |
OOPSE_TEMPLATE_FLAGS="-pto" |
| 64 |
else |
| 65 |
AC_MSG_RESULT(no) |
| 66 |
fi |
| 67 |
rm -f conftest* |
| 68 |
AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std]) |
| 69 |
echo 'void f(){}' > conftest.cc |
| 70 |
if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then |
| 71 |
AC_MSG_RESULT(yes) |
| 72 |
|
| 73 |
|
| 74 |
EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" |
| 75 |
else |
| 76 |
AC_MSG_RESULT(no) |
| 77 |
fi |
| 78 |
fi |
| 79 |
AC_SUBST(OOPSE_TEMPLATE_FLAGS) |
| 80 |
AC_SUBST(EXTRA_CC_FLAG) |
| 81 |
|
| 82 |
dnl Fortran 90 compilation checks are next |
| 83 |
|
| 84 |
AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
| 85 |
dnl Check the flag for Fortran90 preprocessing |
| 86 |
ACX_PROG_F90_PREPFLAG |
| 87 |
dnl Check to see if a flag is required for preprocessing defines |
| 88 |
ACX_PROG_F90_PREPDEFFLAG |
| 89 |
AC_LANG_PUSH(Fortran 90) |
| 90 |
AC_LANG_PREPROC(Fortran 90) |
| 91 |
AC_F90_LIBRARY_LDFLAGS |
| 92 |
dnl How does Fortran mangle function names |
| 93 |
AC_F90_WRAPPERS |
| 94 |
AC_SUBST(F90_FUNC) |
| 95 |
AC_SUBST(F90_FUNC_) |
| 96 |
dnl Fortran 90 module suffix |
| 97 |
AC_CHECK_MODSUFFIX |
| 98 |
dnl Fortran 90 module path specifier |
| 99 |
AC_CHECK_MODDIRFLAG |
| 100 |
|
| 101 |
dnl check for strong optimization options |
| 102 |
|
| 103 |
case $debug in |
| 104 |
1) |
| 105 |
;; |
| 106 |
*) |
| 107 |
ACX_PROG_CC_MAXOPT |
| 108 |
ACX_PROG_CXX_MAXOPT |
| 109 |
ACX_PROG_F90_MAXOPT |
| 110 |
;; |
| 111 |
esac |
| 112 |
|
| 113 |
AC_PROG_INSTALL |
| 114 |
AC_PROG_LN_S |
| 115 |
AC_PROG_MAKE_SET |
| 116 |
AC_PROG_RANLIB |
| 117 |
AC_PROG_YACC |
| 118 |
AC_PROG_LEX |
| 119 |
AC_CHECK_PROG(AR, ar, ar, NONE) |
| 120 |
if test "$AR" = "NONE"; then |
| 121 |
AC_MSG_ERROR(--> Can't find \`ar'!) |
| 122 |
AC_CACHE_SAVE |
| 123 |
exit 1 |
| 124 |
fi |
| 125 |
|
| 126 |
ACX_MPI |
| 127 |
dnl AC_MSG_CHECKING([for mpi-directory]) |
| 128 |
dnl AC_ARG_WITH(mpi, |
| 129 |
dnl [ --with-mpi=MPIDIR give the path for MPI [/usr/local]], |
| 130 |
dnl MPI_DIR="$withval", MPI_DIR="/usr/local") |
| 131 |
dnl AC_MSG_RESULT([$MPI_DIR]) |
| 132 |
dnl AC_SUBST([mpi]) |
| 133 |
|
| 134 |
dnl AC_MSG_CHECKING([for mpi-lib-directory]) |
| 135 |
dnl AC_ARG_WITH(mpi_libdir, |
| 136 |
dnl [ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
| 137 |
dnl MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
| 138 |
dnl AC_MSG_RESULT([$MPI_LIBDIR]) |
| 139 |
dnl AC_SUBST([MPI_LIBDIR]) |
| 140 |
dnl |
| 141 |
dnl AC_MSG_CHECKING([for mpi-inc-directory]) |
| 142 |
dnl AC_ARG_WITH(mpi-inc, |
| 143 |
dnl [ --with-mpi-inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
| 144 |
dnl MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
| 145 |
dnl AC_MSG_RESULT([$MPI_INC]) |
| 146 |
dnl AC_SUBST([MPI_INC]) |
| 147 |
dnl |
| 148 |
dnl AC_MSG_CHECKING([for mpi.h]) |
| 149 |
dnl HAVE_MPIDOTH_C="no" |
| 150 |
dnl echo '#include <mpi.h>' > conftest.cc |
| 151 |
dnl if test -z "`${CXX} -I${MPI_INC} -c conftest.cc 2>&1`"; then |
| 152 |
dnl AC_MSG_RESULT(yes) |
| 153 |
dnl HAVE_MPIDOTH_C="yes" |
| 154 |
dnl else |
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dnl AC_MSG_RESULT(no! Check MPI include paths) |
| 156 |
dnl fi |
| 157 |
dnl rm -f conftest* |
| 158 |
dnl |
| 159 |
dnl AC_MSG_CHECKING([whether mpif.h is usable]) |
| 160 |
dnl HAVE_MPIFDOTH_F90="no" |
| 161 |
dnl rm -f conftest* |
| 162 |
dnl cat >conftest.f90 <<EOF |
| 163 |
dnl program main |
| 164 |
dnl include 'mpif.h' |
| 165 |
dnl end |
| 166 |
dnl EOF |
| 167 |
dnl if $F90 -I$MPI_INC -c conftest.f90 > conftest.out 2>&1 ; then |
| 168 |
dnl AC_MSG_RESULT(yes) |
| 169 |
dnl MPI_F90INC="$MPI_INC" |
| 170 |
dnl HAVE_MPIFDOTH_F90="yes" |
| 171 |
dnl else |
| 172 |
dnl if test -s conftest.out ; then cat conftest.out >> config.log ; fi |
| 173 |
dnl AC_MSG_RESULT([no! Check MPI include paths]) |
| 174 |
dnl fi |
| 175 |
dnl rm -f conftest* |
| 176 |
dnl AC_SUBST([MPI_F90INC]) |
| 177 |
dnl |
| 178 |
dnl AC_LANG_PUSH(C) |
| 179 |
dnl ac_save_LDFLAGS=$LDFLAGS |
| 180 |
dnl LDFLAGS="${LDFLAGS} -L${MPI_LIBDIR} " |
| 181 |
dnl |
| 182 |
dnl if test x = x"$MPI_LIB"; then |
| 183 |
dnl AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi"]) |
| 184 |
dnl fi |
| 185 |
dnl if test x = x"$MPI_LIB"; then |
| 186 |
dnl AC_CHECK_LIB(mpich, MPI_Init, [MPI_LIB="-lmpich"]) |
| 187 |
dnl fi |
| 188 |
dnl $as_unset ac_cv_lib_mpi_MPI_Init |
| 189 |
dnl if test x = x"$MPI_LIB"; then |
| 190 |
dnl AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam"], [], |
| 191 |
dnl "-llam") |
| 192 |
dnl fi |
| 193 |
dnl |
| 194 |
dnl $as_unset ac_cv_lib_mpi_MPI_Init |
| 195 |
dnl if test x = x"$MPI_LIB"; then |
| 196 |
dnl AC_CHECK_LIB(mpi, MPI_Init, [MPI_LIB="-lmpi -llam -lpthread"], |
| 197 |
dnl [AC_MSG_ERROR([Didn't find liblam, libmpi, or libmpich; check path for MPI package first...])], |
| 198 |
dnl [-llam -lpthread]) |
| 199 |
dnl fi |
| 200 |
dnl |
| 201 |
dnl AC_MSG_RESULT(found $MPI_LIB) |
| 202 |
dnl AC_SUBST(MPI_LIB) |
| 203 |
dnl |
| 204 |
dnl AC_MSG_CHECKING([for MPI Fortran library]) |
| 205 |
dnl MPI_F90LIB="" |
| 206 |
dnl if test -f "$MPI_LIBDIR/libfmpich.a" ; then |
| 207 |
dnl MPI_F90LIB="-lfmpich" |
| 208 |
dnl elif test -f "$MPI_LIBDIR/liblamf77mpi.a" ; then |
| 209 |
dnl MPI_F90LIB="-llamf77mpi" |
| 210 |
dnl else |
| 211 |
dnl # nothing special found, we'll assume that the C library is all we need |
| 212 |
dnl MPI_F90LIB=" " |
| 213 |
dnl fi |
| 214 |
dnl AC_MSG_RESULT([found $MPI_F90LIB]) |
| 215 |
dnl AC_SUBST(MPI_F90LIB) |
| 216 |
dnl |
| 217 |
dnl dnl CHECK_MPI |
| 218 |
dnl |
| 219 |
dnl ACX_MPI |
| 220 |
|
| 221 |
AM_PATH_SPRNG |
| 222 |
CHECK_MKL |
| 223 |
|
| 224 |
|
| 225 |
AC_EXEEXT |
| 226 |
AC_OBJEXT |
| 227 |
OBJEXT=".$OBJEXT" |
| 228 |
|
| 229 |
OOPSE=oopse |
| 230 |
|
| 231 |
dnl **** define home dir of oopse |
| 232 |
if test "x${prefix}" = "xNONE" |
| 233 |
then |
| 234 |
OOPSE_HOME=${ac_default_prefix}/oopse |
| 235 |
else |
| 236 |
OOPSE_HOME=${prefix}/oopse |
| 237 |
fi |
| 238 |
AC_ARG_ENABLE(oopse-home, |
| 239 |
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
| 240 |
[OOPSE_HOME="${enableval}"]) |
| 241 |
|
| 242 |
case "x$INSTALL" in |
| 243 |
x/*) ;; |
| 244 |
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
| 245 |
esac |
| 246 |
|
| 247 |
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 248 |
|
| 249 |
dnl **** Final list of subdirs |
| 250 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party shapes" |
| 251 |
|
| 252 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 253 |
CFLAGS=${CFLAGS-""} |
| 254 |
CXXFLAGS=${CXXFLAGS-""} |
| 255 |
CPPFLAGS=${CPPFLAGS-""} |
| 256 |
FFLAGS=${FFLAGS-""} |
| 257 |
F90FLAGS=${F90FLAGS-""} |
| 258 |
LDFLAGS=${LDFLAGS-""} |
| 259 |
DEBUG=${DEBUG-"-g"} |
| 260 |
|
| 261 |
case $debug in |
| 262 |
1) |
| 263 |
FFLAGS="$DEBUG $FFLAGS" |
| 264 |
F90FLAGS="$DEBUG $F90FLAGS" |
| 265 |
;; |
| 266 |
*) |
| 267 |
;; |
| 268 |
esac |
| 269 |
|
| 270 |
|
| 271 |
AC_SUBST(EXEEXT) |
| 272 |
AC_SUBST(OBJEXT) |
| 273 |
AC_SUBST(BATEXT) |
| 274 |
AC_SUBST(MKINSTALLDIRS) |
| 275 |
AC_SUBST(OOPSE) |
| 276 |
AC_SUBST(OOPSE_HOME) |
| 277 |
AC_SUBST(SUBDIRS) |
| 278 |
AC_SUBST(CFLAGS) |
| 279 |
AC_SUBST(CXXFLAGS) |
| 280 |
AC_SUBST(CPPFLAGS) |
| 281 |
AC_SUBST(FFLAGS) |
| 282 |
AC_SUBST(F90FLAGS) |
| 283 |
AC_SUBST(LDFLAGS) |
| 284 |
AC_SUBST(PREPFLAG) |
| 285 |
AC_SUBST(PREPDEFFLAG) |
| 286 |
AC_CONFIG_HEADER([libmdtools/config.h]) |
| 287 |
AC_CONFIG_FILES([Makefile |
| 288 |
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
| 289 |
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
| 290 |
staticProps/Makefile |
| 291 |
third-party/Makefile |
| 292 |
samples/alkane/Makefile samples/argon/Makefile |
| 293 |
samples/beadLipid/Makefile samples/lipid/Makefile |
| 294 |
samples/metals/Makefile samples/water/Makefile |
| 295 |
shapes/Makefile |
| 296 |
]) |
| 297 |
|
| 298 |
AC_OUTPUT |
