# Process this file wth autoconf to produce a configure script.
#######################################################################
-# Disable caching to avoid stupid mistakes
-define([AC_CACHE_LOAD], )
-define([AC_CACHE_SAVE], )
-
-AC_INIT(src/gmxlib/3dview.c)
-AC_PREREQ(2.13)
+AC_PREREQ(2.50)
+AC_INIT(GROMACS, 3.0, gromacs@gromacs.org)
+AC_CONFIG_SRCDIR(src/gmxlib/3dview.c)
AC_CONFIG_AUX_DIR(config)
AC_CANONICAL_HOST
AM_INIT_AUTOMAKE(gromacs, 3.0)
AC_PREFIX_DEFAULT(/usr/local/gromacs)
-AM_CONFIG_HEADER(include/config.h)
+AM_CONFIG_HEADER(src/config.h)
dnl This is the version info according to the libtool versioning system.
dnl It does *not* correspond to the release number.
SHARED_VERSION_INFO="1:0:0"
-
-
-
-
#######################################################################
# Simple options and makefile variables
#######################################################################
[ --disable-float use double instead of single precision],, enable_float=yes)
if test "$enable_float" = "no"; then
AC_DEFINE(DOUBLE,,[Compile in double precision])
+ AM_CONDITIONAL(DOUBLE,true)
fi
### Fortran or not
### MPI environment
AC_ARG_WITH(mpi-environment,
- [ --with-mpi-environment=VAR only start parallel runs when VAR is set],,
+ [ --enable-mpi-environment=VAR only start parallel runs when VAR is set],,
[case "${host_cpu}" in
- mips*-irix*) with_mpi_environment="MPI_ENVIRONMENT" ;;
- *) with_mpi_environment=no ;;
+ mips*-irix*) enable_mpi_environment="MPI_ENVIRONMENT" ;;
+ *) enable_mpi_environment=no ;;
esac])
-if test "$with_mpi_environment" != "no"; then
- AC_DEFINE_UNQUOTED(CHECK_MPI_ENV,"$with_mpi_environment",[If defined, only start MPI runs when this variable is set])
+if test "$enable_mpi_environment" != "no"; then
+ AC_DEFINE_UNQUOTED(CHECK_MPI_ENV,"$enable_mpi_environment",[If defined, only start MPI runs when this variable is set])
fi
AC_ARG_ENABLE(waterwater-loops,
[ --disable-waterwater-loops turn off double unrolled loops (hack for sgi)],,
[case "${host_cpu}-${host_os}" in
- mips*-irix*) enable_waterwater_loops=yes ;;
- *) enable_waterwater_loops=no ;;
+ mips*-irix*) enable_waterwater_loops=no ;;
+ *) enable_waterwater_loops=yes ;;
esac])
if test "$enable_waterwater_loops" = "no"; then
AC_DEFINE(DISABLE_WATERWATER_LOOPS,,[Don't use special loops for water-water interactions])
### Compile without FFTW - disabling it means you can't use PME or PPPM!
### N.B.: This is only intended as a last resort, or for tests - don't use it!
AC_ARG_WITH(fftw,
- [ --without-fftw if you turn this off you can't use PME/PPPM],, with_fftw=yes)
+ [ --without-fftw if you turn this off you cannot use PME/PPPM],, with_fftw=yes)
if test "$with_fftw" = "no"; then
AC_DEFINE(WITHOUT_FFTW,,[Disable all FFTW (and thus PME/PPPM) support])
fi
f77_names="f77 xlf xlf77 cf77 fl32 g77 fort77 f90 xlf90 pgf77 cf77 fort fort77 pgf90"
;;
esac
+# the (non-mpi) c compiler, which is also used for programs executed during build stage
+AC_PROG_CC( $cc_names )
+# Check for environment variable CC_FOR_BUILD before overwriting it
+if test -z "$CC_FOR_BUILD"; then
+ CC_FOR_BUILD=$CC
+fi
+AC_SUBST(CC_FOR_BUILD)
+
if test "$enable_fortran" = "yes"; then
- AC_CHECK_PROGS(F77, $f77_names)
- AC_PROG_F77
+ AC_PROG_F77( $f77_names )
if test -z "$F77"; then
AC_MSG_ERROR([No fortran compiler found])
fi
fi
-# the (non-mpi) c compiler, which is also used for programs executed during build stage
-AC_CHECK_PROGS(CC, $cc_names)
-AC_PROG_CC
-# Check for environment variable CC_FOR_BUILD before overwriting it
-if test -z "$CC_FOR_BUILD"; then
- CC_FOR_BUILD=$CC
+# This is a libtool hack. We never use c++, but libtool supports it and
+# thus there are macros that require it. For some reason, these macros are
+# always expanded by the libtool scripts, unless the are already present
+# in the file. Thus, we include them here but never run them...
+if test 1 = 0; then
+ AC_PROG_CXX
+ AC_PROG_CXXCPP
fi
-AC_SUBST(CC_FOR_BUILD)
# if we are using mpi, also get an MPICC. We cannot set that in the PROG_CC macro
# above, since autoconf checks that the created file can be executed. This would
# fail on platforms where MPI executables can only be run through a batchqueue.
if test "$enable_mpi" = "yes"; then
- AC_CHECK_PROGS(MPICC, mpicc mpcc mpxlf hcc, $CC)
+ AC_CHECK_PROGS(MPICC, mpxlc mpicc mpcc hcc, $CC)
# now change the normal cc to the MPI one - see the comment above.
CC=$MPICC
AC_MSG_CHECKING([whether the MPI cc command works]) # be paranoid
if test "$enable_fortran" = "yes"; then
AC_F77_LIBRARY_LDFLAGS
- ACX_F77_NAME_MANGLING
+ AC_F77_WRAPPERS
fi
AC_PROG_CPP
[from www.gromacs.org, or disable assembly loops.])
fi
GMXLIB_LIBOBJS="${GMXLIB_LIBOBJS} x86_cpuid.lo x86_sse.lo x86_3dnow.lo"
+ AC_DEFINE([USE_X86_ASM],,[Use X86 SSE/3DNow multimedia assembly code])
fi
fi
+case "${host_cpu}" in
+ alpha*)
+ AC_DEFINE([USE_AXP_ASM],,[Use Alpha assembly for vectorized 1/sqrt])
+ cat > conftest.s << EOF
+#ifdef __ELF__
+.section .rodata
+#else
+ .rdata
+#endif
+EOF
+ AM_CONDITIONAL(AXP_ASM_CAPITAL_S,!(AC_TRY_COMMAND($CC -c conftest.s)))
+ GMXLIB_LIBOBJS="${GMXLIB_LIBOBJS} axp_asm.lo"
+ ;;
+ *) ;;
+esac
+
AC_PATH_PROG(IDENT,ident,no)
if test "$IDENT" != "no"; then
# seems as if we have the ident program, but does the
AC_MSG_RESULT([no]))
fi
-AM_PROG_LIBTOOL
+AC_PROG_LIBTOOL
AC_PROG_LN_S
if test "$vectmass" = "yes"; then
AC_DEFINE(HAVE_LIBMASSV_ANY,,[Use vectorized routines in the IBM MASS library])
if test "$enable_vectorized_recip" = "not_selected"; then
- echo "Note: vector MASS lib present - vectorizing 1/x inner loops"
+ AC_MSG_NOTICE([vector MASS lib present - vectorizing 1/x inner loops])
enable_vectorized_recip="yes"
fi
if test "$enable_vectorized_sqrt" = "not_selected"; then
- echo "Note: vector MASS lib present - vectorizing 1/sqrt inner loops"
+ AC_MSG_NOTICE([vector MASS lib present - vectorizing 1/sqrt inner loops])
enable_vectorized_sqrt="yes"
fi
else
echo "******************************************************************************"
echo "*Didn't find the IBM MASS library. It's not necessary, but can provide 20% *"
echo "*performance improvement by loop vectorization. Add the library search path *"
- echo "*with -L in the LDFLAGS variable. If you can't find MASS, download it from *"
+ echo "*with -L in the LDFLAGS variable. If you cannot find MASS, download it from *"
echo "*http://www.research.ibm.com/mass *"
echo "******************************************************************************"
fi
fi
if test "$with_fftw" = "yes"; then
- ACX_CHECK_FFTW(fftw,$enable_float)
- ACX_CHECK_FFTW(rfftw,$enable_float)
+ if test "$enable_float" = "yes"; then
+ sizeof_real=4
+ else
+ sizeof_real=8
+ fi
+
+ ACX_CHECK_FFTW(fftw,$sizeof_real)
+ ACX_CHECK_FFTW(rfftw,$sizeof_real)
if test "$enable_mpi" = "yes"; then
- ACX_CHECK_FFTW(fftw_mpi,$enable_float)
- ACX_CHECK_FFTW(rfftw_mpi,$enable_float)
+ ACX_CHECK_FFTW(fftw_mpi,$sizeof_real)
+ ACX_CHECK_FFTW(rfftw_mpi,$sizeof_real)
fi
case ${ac_fftw_savedprefix} in
echo "* You will not be able to use PME (Particle Mesh Ewald) summation *"
echo "* in your simulations. Unless you are absolutely sure you won't *"
echo "* ever need this we suggest you install FFTW instead of compiling *"
- echo "* a version of GROMACS that won't be fully functional. *"
+ echo "* a version of GROMACS that will be crippled! *"
echo "*******************************************************************"
fi # end of fftw check
AC_DEFINE(USE_XDR,,[Use portable trajectory routines])
else
echo "*****************************************************************************"
- echo "*WARNING - XDR not found. This cripples GROMACS significantly - you can't *"
+ echo "*WARNING - XDR not found. This cripples GROMACS significantly - you cannot *"
echo "*read/write portable trajectories. No choice on windows, but locate the RPC *"
echo "*header files and libraries if you run UNIX - they do exist! *"
echo "*****************************************************************************"
# try to find motif headers and libraries
AC_FIND_MOTIF
use_motif=no
-if test "$motif_libraries" != "none"; then
- if test "$motif_includes" != "none"; then
+if test "$motif_libraries" != "no"; then
+ if test "$motif_includes" != "no"; then
GMXLIB_LIBOBJS="${GMXLIB_LIBOBJS} mgmx.lo widget.lo"
use_motif=yes
else
- AC_MSG_WARN([ Sorry, we need both Motif/Lesstif libraries and includes. Disabling.])
- motif_include=none
+ AC_MSG_NOTICE([Both libraries and includes are needed for Motif - disabling.])
+ motif_includes=no
fi
fi
if test "$no_x" != "yes"; then
########################################################################
# Final output stage
########################################################################
-ASFLAGS="$ASFLAGS $CFLAGS"
AS="$CC"
AC_SUBST(ASFLAGS)
AC_SUBST(AS)
fi
AC_SUBST(exec_prefix)
-AC_OUTPUT([Makefile include/Makefile include/types/Makefile src/Makefile
- src/gmxlib/Makefile src/mdlib/Makefile src/kernel/Makefile
- src/tools/Makefile src/ngmx/Makefile src/contrib/Makefile
- scripts/Makefile admin/Makefile share/Makefile share/tutor/Makefile
- share/tutor/gmxdemo/Makefile share/tutor/nmr1/Makefile
- share/tutor/nmr2/Makefile share/tutor/water/Makefile
- share/tutor/speptide/Makefile share/template/Makefile
- share/top/Makefile share/html/Makefile share/html/images/Makefile
- share/html/online/Makefile man/Makefile man/man1/Makefile])
+AC_CONFIG_FILES([Makefile include/Makefile include/types/Makefile
+src/Makefile src/gmxlib/Makefile src/mdlib/Makefile src/kernel/Makefile
+src/tools/Makefile src/ngmx/Makefile src/contrib/Makefile
+scripts/Makefile admin/Makefile share/Makefile share/tutor/Makefile
+share/tutor/gmxdemo/Makefile share/tutor/nmr1/Makefile
+share/tutor/nmr2/Makefile share/tutor/water/Makefile
+share/tutor/speptide/Makefile share/template/Makefile
+share/top/Makefile share/html/Makefile share/html/images/Makefile
+share/html/online/Makefile man/Makefile man/man1/Makefile])
+AC_OUTPUT
echo ""
echo "GROMACS is ready to compile."
-echo ""
+
eval "show_path=`echo ${exec_prefix} | sed -e s,NONE,${ac_default_prefix},`"
echo ""
echo "* Binaries and libraries for this host will be installed under"
echo " ${show_path}"
-echo " (You can change it with the --exec-prefix option.)"
+echo " (You can set it with the --prefix and --exec-prefix options.)"
if test "$enable_float" = "no" -a "$name_transform_provided" = "no"; then
echo ""
echo "* You are compiling a double precision version of the package -"
echo " program names will be suffixed with _d to avoid overwriting single"
- echo " precision files. You can override this with --program-suffix"
+ echo " precision files. You can override it with --program-suffix"
fi
if test "$name_transform_provided" = "no" -a "$enable_mpi" = "yes"; then
echo ""
echo "* Seems you are compiling with MPI support. You can install the MPI-"
echo " enabled programs with suffixed names to have both MPI and non-MPI"
- echo " versions. This is useful when you need a charge queue to run"
- echo " MPI-linked programs (common on supercomputers)."
+ echo " versions. This is useful e.g. on supercomputers where you usually"
+ echo " cannot run MPI-linked programs on the login node."
echo " Set a suffix with e.g. --program-suffix=_mpi (or _mpi_d for double)."
echo " You only need MPI for mdrun, so if you already have non-MPI stuff"
- echo " installed you can issue make mdrun; make mdrun-install."
+ echo " installed you can issue make mdrun; make install-mdrun."
+fi
+
+if test "$enable_shared" = "yes"; then
+ echo ""
+ echo "* To save space, we use shared libraries. If this causes any problems,"
+ echo " you can turn it off with --disable-shared."
fi
echo ""
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
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biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff