| 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) |
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|
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builtin(include, ac-tools/fortran90.m4) |
| 7 |
builtin(include, ac-tools/aclocal.m4) |
| 8 |
|
| 9 |
|
| 10 |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
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|
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AC_PREFIX_DEFAULT("/usr/local") |
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|
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# set program name |
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PROGNAME="oopse" |
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AC_SUBST(PROGNAME) |
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|
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# 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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|
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debug=0 |
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AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1]) |
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if test "${DEBUG}"; then |
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AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
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msg="$msg, debug mode" |
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fi |
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AC_SUBST(debug) |
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|
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# who am i |
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AC_CANONICAL_HOST |
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|
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dnl Checks for C compiler |
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AC_PROG_CC([icc xlc gcc cc]) |
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|
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dnl Checks for C++ compiler |
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AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
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|
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dnl If we are not running g++ then we might need some other flags |
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dnl to get the templates compiled correctly |
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OOPSE_TEMPLATE_FLAGS="" |
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if test $ac_cv_prog_gxx = no; then |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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rm -f conftest* |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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OOPSE_TEMPLATE_FLAGS="-instances=static" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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rm -f conftest* |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -pto]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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OOPSE_TEMPLATE_FLAGS="-pto" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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rm -f conftest* |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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|
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|
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EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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fi |
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AC_SUBST(OOPSE_TEMPLATE_FLAGS) |
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AC_SUBST(EXTRA_CC_FLAG) |
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|
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dnl Fortran 90 compilation checks are next |
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|
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AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
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dnl Check the flag for Fortran90 preprocessing |
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ACX_PROG_F90_PREPFLAG |
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dnl Check to see if a flag is required for preprocessing defines |
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ACX_PROG_F90_PREPDEFFLAG |
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AC_LANG_PUSH(Fortran 90) |
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AC_LANG_PREPROC(Fortran 90) |
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AC_F90_LIBRARY_LDFLAGS |
| 93 |
dnl How does Fortran mangle function names |
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AC_F90_WRAPPERS |
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AC_SUBST(F90_FUNC) |
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AC_SUBST(F90_FUNC_) |
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dnl Fortran 90 module suffix |
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AC_CHECK_MODSUFFIX |
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dnl Fortran 90 module path specifier |
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AC_CHECK_MODDIRFLAG |
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|
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dnl check for strong optimization options |
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|
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case $debug in |
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1) |
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;; |
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*) |
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ACX_PROG_CC_MAXOPT |
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ACX_PROG_CXX_MAXOPT |
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ACX_PROG_F90_MAXOPT |
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;; |
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esac |
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|
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AC_PROG_INSTALL |
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AC_PROG_LN_S |
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AC_PROG_MAKE_SET |
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AC_PROG_RANLIB |
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AC_PROG_YACC |
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AC_PROG_LEX |
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AC_CHECK_PROG(AR, ar, ar, NONE) |
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if test "$AR" = "NONE"; then |
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AC_MSG_ERROR(--> Can't find \`ar'!) |
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AC_CACHE_SAVE |
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exit 1 |
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fi |
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|
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AC_MSG_CHECKING([for mpi-directory]) |
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AC_ARG_WITH(mpi, |
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[ --with-mpi=MPIDIR give the path for MPI [/usr/local]], |
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MPI_DIR="$withval", MPI_DIR="/usr/local") |
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AC_MSG_RESULT([$MPI_DIR]) |
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AC_SUBST([mpi]) |
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|
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AC_MSG_CHECKING([for mpi-lib-directory]) |
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AC_ARG_WITH(mpi_libdir, |
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[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
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MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
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AC_MSG_RESULT([$MPI_LIBDIR]) |
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AC_SUBST([MPI_LIBDIR]) |
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|
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AC_MSG_CHECKING([for mpi-inc-directory]) |
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AC_ARG_WITH(mpi_inc, |
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[ --with-mpi_inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
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MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
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AC_MSG_RESULT([$MPI_INC]) |
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AC_SUBST([MPI_INC]) |
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|
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|
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AC_MSG_CHECKING([for MPI library]) |
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MPI_LIB="" |
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case "$host" in |
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*-ibm-aix*) dnl IBM/SP2 machines |
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dnl checking whether to use signal-based MPI |
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|
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AC_MSG_CHECKING([whether to use signal-based MPI library]) |
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AC_MSG_RESULT([$PACX_SIGNAL]) |
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if test "x$PACX_SIGNAL" = "xyes" ; then |
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if test -f "$MPI_LIBDIR/libmpi.a" ; then |
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MPI_LIB="-lmpi" |
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elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
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MPI_LIB="-lmpi" |
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elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
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MPI_LIB="-lmpich" |
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else |
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AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
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fi |
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else |
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if test -f "$MPI_LIBDIR/libmpi_r.a" ; then |
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MPI_LIB="-lmpi_r" |
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else |
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AC_MSG_ERROR([libmpi_r not found; check path for MPI package...]) |
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fi |
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fi |
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AC_MSG_RESULT(found $MPI_LIB) |
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;; |
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*) dnl All other machines |
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if test -f "$MPI_LIBDIR/libmpich.a" ; then |
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MPI_LIB="-lmpich" |
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elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
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MPI_LIB="-lmpi" |
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elif test -f "$MPI_LIBDIR/libmpi.a" ; then |
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MPI_LIB="-lmpi" |
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else |
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AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
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fi |
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AC_MSG_RESULT(found $MPI_LIB) |
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;; |
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esac |
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AC_SUBST(MPI_LIB) |
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|
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dnl I don't think this works right now: |
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dnl ACX_MPI |
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|
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AM_PATH_SPRNG |
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CHECK_MKL |
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|
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|
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AC_EXEEXT |
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AC_OBJEXT |
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OBJEXT=".$OBJEXT" |
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|
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OOPSE=oopse |
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|
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dnl **** define home dir of oopse |
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if test "x${prefix}" = "xNONE" |
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then |
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OOPSE_HOME=${ac_default_prefix}/oopse |
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else |
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OOPSE_HOME=${prefix}/oopse |
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fi |
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AC_ARG_ENABLE(oopse-home, |
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[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
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[OOPSE_HOME="${enableval}"]) |
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|
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case "x$INSTALL" in |
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x/*) ;; |
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*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
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esac |
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|
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MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
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|
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dnl **** Final list of subdirs |
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SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party" |
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|
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dnl **** Define CFLAGS etc empty to prevent configure from setting them |
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CFLAGS=${CFLAGS-""} |
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CXXFLAGS=${CXXFLAGS-""} |
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CPPFLAGS=${CPPFLAGS-""} |
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FFLAGS=${FFLAGS-""} |
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F90FLAGS=${F90FLAGS-""} |
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LDFLAGS=${LDFLAGS-""} |
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DEBUG=${DEBUG-"-g"} |
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|
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case $debug in |
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1) |
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FFLAGS="$DEBUG $FFLAGS" |
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F90FLAGS="$DEBUG $F90FLAGS" |
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;; |
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*) |
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;; |
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esac |
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|
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|
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AC_SUBST(EXEEXT) |
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AC_SUBST(OBJEXT) |
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AC_SUBST(BATEXT) |
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AC_SUBST(MKINSTALLDIRS) |
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AC_SUBST(OOPSE) |
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AC_SUBST(OOPSE_HOME) |
| 250 |
AC_SUBST(SUBDIRS) |
| 251 |
AC_SUBST(CFLAGS) |
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AC_SUBST(CXXFLAGS) |
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AC_SUBST(CPPFLAGS) |
| 254 |
AC_SUBST(FFLAGS) |
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AC_SUBST(F90FLAGS) |
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AC_SUBST(LDFLAGS) |
| 257 |
AC_SUBST(PREPFLAG) |
| 258 |
AC_SUBST(PREPDEFFLAG) |
| 259 |
AC_CONFIG_HEADER([libmdtools/config.h]) |
| 260 |
AC_CONFIG_FILES([Makefile |
| 261 |
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
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utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
| 263 |
staticProps/Makefile |
| 264 |
third-party/Makefile |
| 265 |
samples/alkane/Makefile samples/argon/Makefile |
| 266 |
samples/beadLipid/Makefile samples/lipid/Makefile |
| 267 |
samples/metals/Makefile samples/water/Makefile |
| 268 |
]) |
| 269 |
|
| 270 |
AC_OUTPUT |
