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root/group/trunk/OOPSE/configure
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Comparing trunk/OOPSE/configure (file contents):
Revision 949 by chuckv, Thu Jan 15 21:57:10 2004 UTC vs.
Revision 1238 by gezelter, Fri Jun 4 14:59:17 2004 UTC

# Line 312 | Line 312 | ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKA
312   # include <unistd.h>
313   #endif"
314  
315 < ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKAGE_TARNAME PACKAGE_VERSION PACKAGE_STRING PACKAGE_BUGREPORT exec_prefix prefix program_transform_name bindir sbindir libexecdir datadir sysconfdir sharedstatedir localstatedir libdir includedir oldincludedir infodir mandir build_alias host_alias target_alias DEFS ECHO_C ECHO_N ECHO_T LIBS PROGNAME debug build build_cpu build_vendor build_os host host_cpu host_vendor host_os CC CFLAGS LDFLAGS CPPFLAGS ac_ct_CC EXEEXT OBJEXT CXX CXXFLAGS ac_ct_CXX OOPSE_TEMPLATE_FLAGS EXTRA_CC_FLAG F90 F90FLAGS ac_ct_F90 PREPFLAG PREPDEFFLAG F90LIBS F90_FUNC F90_FUNC_ MOD F90_WORK_FILES_ARG MODDIRFLAG F90MODINCSPEC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA LN_S SET_MAKE RANLIB ac_ct_RANLIB YACC LEX LEXLIB LEX_OUTPUT_ROOT AR mpi MPI_LIBDIR MPI_INC MPI_F90INC MPI_LIB MPI_F90LIB CPP EGREP SPRNG_LIBDIR SPRNG_LIB SPRNG_INC HAVE_SPRNG MKL_LIBDIR MKL_LIB MKL_INC HAVE_MKL BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS FFLAGS LIBOBJS LTLIBOBJS'
315 > ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKAGE_TARNAME PACKAGE_VERSION PACKAGE_STRING PACKAGE_BUGREPORT exec_prefix prefix program_transform_name bindir sbindir libexecdir datadir sysconfdir sharedstatedir localstatedir libdir includedir oldincludedir infodir mandir build_alias host_alias target_alias DEFS ECHO_C ECHO_N ECHO_T LIBS PROGNAME debug build build_cpu build_vendor build_os host host_cpu host_vendor host_os CC CFLAGS LDFLAGS CPPFLAGS ac_ct_CC EXEEXT OBJEXT CXX CXXFLAGS ac_ct_CXX OOPSE_TEMPLATE_FLAGS EXTRA_CC_FLAG F90 F90FLAGS ac_ct_F90 PREPFLAG PREPDEFFLAG F90LIBS F90_FUNC F90_FUNC_ MOD F90_WORK_FILES_ARG MODDIRFLAG F90MODINCSPEC INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA LN_S SET_MAKE RANLIB ac_ct_RANLIB YACC LEX LEXLIB LEX_OUTPUT_ROOT AR MPI_LIB_DIR MPI_INC_DIR MPI_F90_INC MPI_LIB MPI_F90_LIB USE_MPI CPP EGREP SPRNG_LIBDIR SPRNG_LIB SPRNG_INC HAVE_SPRNG MKL_LIBDIR MKL_LIB MKL_INC HAVE_MKL BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS FFLAGS LIBOBJS LTLIBOBJS'
316   ac_subst_files=''
317  
318   # Initialize some variables set by options.
# Line 871 | Line 871 | Optional Packages:
871   Optional Packages:
872    --with-PACKAGE[=ARG]    use PACKAGE [ARG=yes]
873    --without-PACKAGE       do not use PACKAGE (same as --with-PACKAGE=no)
874 <  --with-mpi=MPIDIR   give the path for MPI /usr/local
875 <  --with-mpi-libdir=dir  give the path for MPI-libraries MPI_DIR/lib
876 <  --with-mpi-inc=dir  give the path for MPI-include-files MPI_DIR/include
874 >  --with-mpi=<prefix>     compile with MPI libraries in <prefix> [default=no]
875    --with-sprng_prefix=PREFIX
876                            Prefix where SPRNG is installed
877    --with-sprng-libdir=PREFIX  SPRNG library directory
# Line 1869 | Line 1867 | ac_configure="$SHELL $ac_aux_dir/configure" # This sho
1867  
1868  
1869  
1872 –
1870   # set program name
1871   PROGNAME="oopse"
1872  
# Line 2669 | Line 2666 | if test -n "$ac_tool_prefix"; then
2666   ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
2667   ac_compiler_gnu=$ac_cv_cxx_compiler_gnu
2668   if test -n "$ac_tool_prefix"; then
2669 <  for ac_prog in $CCC icpc icc xlC CC g++ c++
2669 >  for ac_prog in $CCC icpc icc xlc++ xlC CC g++ c++
2670    do
2671      # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
2672   set dummy $ac_tool_prefix$ac_prog; ac_word=$2
# Line 2711 | Line 2708 | if test -z "$CXX"; then
2708   fi
2709   if test -z "$CXX"; then
2710    ac_ct_CXX=$CXX
2711 <  for ac_prog in $CCC icpc icc xlC CC g++ c++
2711 >  for ac_prog in $CCC icpc icc xlc++ xlC CC g++ c++
2712   do
2713    # Extract the first word of "$ac_prog", so it can be a program name with args.
2714   set dummy $ac_prog; ac_word=$2
# Line 3527 | Line 3524 | F90FLAGS="$F90FLAGS $ac_verb"
3524   ac_save_F90FLAGS=$F90FLAGS
3525   F90FLAGS="$F90FLAGS $ac_verb"
3526  
3527 < (eval echo $as_me:3530: \"$ac_link\") >&5
3527 > (eval echo $as_me:3527: \"$ac_link\") >&5
3528   ac_f90_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
3529   echo "$ac_f90_v_output" >&5
3530   F90FLAGS=$ac_save_F90FLAGS
# Line 3604 | Line 3601 | F90FLAGS="$F90FLAGS $ac_cv_prog_f90_v"
3601   ac_save_F90FLAGS=$F90FLAGS
3602   F90FLAGS="$F90FLAGS $ac_cv_prog_f90_v"
3603  
3604 < (eval echo $as_me:3607: \"$ac_link\") >&5
3604 > (eval echo $as_me:3604: \"$ac_link\") >&5
3605   ac_f90_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
3606   echo "$ac_f90_v_output" >&5
3607   F90FLAGS=$ac_save_F90FLAGS
# Line 4289 | Line 4286 | if test "$ac_test_CFLAGS" != "set"; then
4286          fi;;
4287     *darwin*)
4288          if test "$CC" = xlc -o "$CC" = cc; then
4289 <                CFLAGS="-qthreaded -O5 -Q=20 -qtune=auto -qarch=auto -qunroll=auto -qaltivec"
4289 >                CFLAGS="-qthreaded -O5 -qtune=auto -qarch=auto -qunroll=auto -qaltivec"
4290          fi;;
4291    esac
4292  
# Line 4740 | Line 4737 | if test "$ac_test_CXXFLAGS" != "set"; then
4737                  echo "*******************************************************"
4738          fi;;
4739     *darwin*)
4740 <        if test "$CXX" = xlC; then
4741 <                CXXFLAGS="-qthreaded -O5 -Q=20 -qtune=auto -qarch=auto -qunroll=auto -qaltivec"
4740 >        if test "$CXX" = xlc++; then
4741 >                CXXFLAGS="-qthreaded -O5 -qtune=auto -qarch=auto -qunroll=auto -qaltivec"
4742          fi;;
4743    esac
4744  
# Line 5152 | Line 5149 | if test x"$F90FLAGS" = x ; then
5149                  echo "*******************************************************"
5150          fi;;
5151     *darwin*)
5152 <        if test "$F90" = f90 -o "$F90" = xlf90; then
5152 >        if test "$F90" = f90 -o "$F90" = xlf90 -o "$F90" = xlf95; then
5153                  F90FLAGS="-qthreaded -O5 -qtune=auto -qarch=auto -qunroll=auto"
5154          fi;;
5155    esac
# Line 5814 | Line 5811 | echo "$as_me:$LINENO: checking for mpi-directory" >&5
5811    exit 1
5812   fi
5813  
5817 – echo "$as_me:$LINENO: checking for mpi-directory" >&5
5818 – echo $ECHO_N "checking for mpi-directory... $ECHO_C" >&6
5814  
5815 +
5816   # Check whether --with-mpi or --without-mpi was given.
5817   if test "${with_mpi+set}" = set; then
5818    withval="$with_mpi"
5819 <  MPI_DIR="$withval"
5819 >  with_mpi=$withval
5820   else
5821 <  MPI_DIR="/usr/local"
5821 >  with_mpi="no"
5822   fi;
5827 – echo "$as_me:$LINENO: result: $MPI_DIR" >&5
5828 – echo "${ECHO_T}$MPI_DIR" >&6
5823  
5824 <
5825 < echo "$as_me:$LINENO: checking for mpi-lib-directory" >&5
5826 < echo $ECHO_N "checking for mpi-lib-directory... $ECHO_C" >&6
5827 <
5828 < # Check whether --with-mpi_libdir or --without-mpi_libdir was given.
5829 < if test "${with_mpi_libdir+set}" = set; then
5830 <  withval="$with_mpi_libdir"
5831 <  MPI_LIBDIR="$withval"
5832 < else
5833 <  MPI_LIBDIR="$MPI_DIR/lib"
5840 < fi;
5841 < echo "$as_me:$LINENO: result: $MPI_LIBDIR" >&5
5842 < echo "${ECHO_T}$MPI_LIBDIR" >&6
5824 > case "x$with_mpi" in
5825 >        xyes | "x")  USE_MPI=yes;;
5826 >        xno) USE_MPI=no ;;
5827 >        *) MPI="$with_mpi"; USE_MPI=yes ;;
5828 > esac
5829 > if test "$USE_MPI" = "yes" -a -z "$with_mpi"; then
5830 >        MPI="/usr/local"
5831 > fi
5832 > if test "$USE_MPI" = "yes"; then
5833 >        echo "MPI = $MPI"
5834  
5835  
5836 < echo "$as_me:$LINENO: checking for mpi-inc-directory" >&5
5837 < echo $ECHO_N "checking for mpi-inc-directory... $ECHO_C" >&6
5836 > # Set variables...
5837 > MPI_LIB_DIR="$MPI/lib"
5838 > MPI_INC_DIR="$MPI/include"
5839  
5848 – # Check whether --with-mpi-inc or --without-mpi-inc was given.
5849 – if test "${with_mpi_inc+set}" = set; then
5850 –  withval="$with_mpi_inc"
5851 –  MPI_INC="$withval"
5852 – else
5853 –  MPI_INC="$MPI_DIR/include"
5854 – fi;
5855 – echo "$as_me:$LINENO: result: $MPI_INC" >&5
5856 – echo "${ECHO_T}$MPI_INC" >&6
5840  
5841  
5842   echo "$as_me:$LINENO: checking for mpi.h" >&5
5843   echo $ECHO_N "checking for mpi.h... $ECHO_C" >&6
5844 < HAVE_MPIDOTH_C="no"
5844 > have_mpi_h=0
5845   echo '#include <mpi.h>' > conftest.cc
5846 < if test -z "`${CXX} -I${MPI_INC} -c conftest.cc 2>&1`"; then
5847 <  echo "$as_me:$LINENO: result: yes" >&5
5846 > if test -z "`${CXX} -I${MPI_INC_DIR} -c conftest.cc 2>&1`"; then
5847 >        echo "$as_me:$LINENO: result: yes" >&5
5848   echo "${ECHO_T}yes" >&6
5849 <  HAVE_MPIDOTH_C="yes"
5849 >        have_mpi_h=1
5850   else
5851 <  echo "$as_me:$LINENO: result: no! Check MPI include paths" >&5
5851 >        echo "$as_me:$LINENO: result: no! Check MPI include paths" >&5
5852   echo "${ECHO_T}no! Check MPI include paths" >&6
5853 +        USE_MPI="no"
5854   fi
5855   rm -f conftest*
5856 + if test "$have_mpi_h" = 1; then
5857  
5858 + cat >>confdefs.h <<\_ACEOF
5859 + #define HAVE_MPI_H 1
5860 + _ACEOF
5861 +
5862 + fi
5863 +
5864   echo "$as_me:$LINENO: checking whether mpif.h is usable" >&5
5865   echo $ECHO_N "checking whether mpif.h is usable... $ECHO_C" >&6
5866 < HAVE_MPIFDOTH_F90="no"
5866 > have_mpif_h=0
5867   rm -f conftest*
5868   cat >conftest.f90 <<EOF
5869   program main
5870 <  include 'mpif.h'
5870 >   include 'mpif.h'
5871   end
5872   EOF
5873 < if $F90 -I$MPI_INC -c conftest.f90 > conftest.out 2>&1 ; then
5874 <   echo "$as_me:$LINENO: result: yes" >&5
5873 > if $F90 -I$MPI_INC_DIR -c conftest.f90 > conftest.out 2>&1 ; then
5874 >        echo "$as_me:$LINENO: result: yes" >&5
5875   echo "${ECHO_T}yes" >&6
5876 <   MPI_F90INC="$MPI_INC"
5877 <   HAVE_MPIFDOTH_F90="yes"
5876 >        MPI_F90_INC="$MPI_INC_DIR"
5877 >        have_mpif_h=1
5878   else
5879 <   if test -s conftest.out ; then cat conftest.out >> config.log ; fi
5880 <   echo "$as_me:$LINENO: result: no! Check MPI include paths" >&5
5879 >        if test -s conftest.out ; then
5880 >                cat conftest.out >> config.log
5881 >        fi
5882 >        echo "$as_me:$LINENO: result: no! Check MPI include paths" >&5
5883   echo "${ECHO_T}no! Check MPI include paths" >&6
5884 +        USE_MPI="no"
5885   fi
5886   rm -f conftest*
5887  
5888 + if test "$have_mpif_h" = 1; then
5889  
5890 + cat >>confdefs.h <<\_ACEOF
5891 + #define HAVE_MPIF_H 1
5892 + _ACEOF
5893 +
5894 + fi
5895 +
5896   ac_ext=c
5897   ac_cpp='$CPP $CPPFLAGS'
5898   ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
# Line 5899 | Line 5900 | LDFLAGS="${LDFLAGS} -L${MPI_LIBDIR} "
5900   ac_compiler_gnu=$ac_cv_c_compiler_gnu
5901  
5902   ac_save_LDFLAGS=$LDFLAGS
5903 < LDFLAGS="${LDFLAGS} -L${MPI_LIBDIR} "
5903 > LDFLAGS="${LDFLAGS} -L${MPI_LIB_DIR} "
5904  
5905   if test x = x"$MPI_LIB"; then
5906 <   echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5
5906 >        echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5
5907   echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6
5908   if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then
5909    echo $ECHO_N "(cached) $ECHO_C" >&6
# Line 5972 | Line 5973 | if test x = x"$MPI_LIB"; then
5973  
5974   fi
5975   if test x = x"$MPI_LIB"; then
5976 <   echo "$as_me:$LINENO: checking for MPI_Init in -lmpich" >&5
5976 >        echo "$as_me:$LINENO: checking for MPI_Init in -lmpich" >&5
5977   echo $ECHO_N "checking for MPI_Init in -lmpich... $ECHO_C" >&6
5978   if test "${ac_cv_lib_mpich_MPI_Init+set}" = set; then
5979    echo $ECHO_N "(cached) $ECHO_C" >&6
# Line 6043 | Line 6044 | if test x = x"$MPI_LIB"; then
6044   fi
6045   $as_unset ac_cv_lib_mpi_MPI_Init
6046   if test x = x"$MPI_LIB"; then
6047 <   echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5
6047 >        echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5
6048   echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6
6049   if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then
6050    echo $ECHO_N "(cached) $ECHO_C" >&6
# Line 6115 | Line 6116 | if test x = x"$MPI_LIB"; then
6116  
6117   $as_unset ac_cv_lib_mpi_MPI_Init
6118   if test x = x"$MPI_LIB"; then
6119 <   echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5
6119 > echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5
6120   echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6
6121   if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then
6122    echo $ECHO_N "(cached) $ECHO_C" >&6
# Line 6182 | Line 6183 | else
6183   if test $ac_cv_lib_mpi_MPI_Init = yes; then
6184    MPI_LIB="-lmpi -llam -lpthread"
6185   else
6186 <  { { echo "$as_me:$LINENO: error: Didn't find liblam, libmpi, or libmpich; check path for MPI package first..." >&5
6186 >
6187 >             { { echo "$as_me:$LINENO: error: Didn't find liblam, libmpi, or libmpich; check path for MPI package first..." >&5
6188   echo "$as_me: error: Didn't find liblam, libmpi, or libmpich; check path for MPI package first..." >&2;}
6189     { (exit 1); exit 1; }; }
6190 +             USE_MPI="no"
6191 +
6192   fi
6193  
6194   fi
6195  
6192 – echo "$as_me:$LINENO: result: found $MPI_LIB" >&5
6193 – echo "${ECHO_T}found $MPI_LIB" >&6
6196  
6197  
6198   echo "$as_me:$LINENO: checking for MPI Fortran library" >&5
6199   echo $ECHO_N "checking for MPI Fortran library... $ECHO_C" >&6
6200 < MPI_F90LIB=""
6201 < if test -f "$MPI_LIBDIR/libfmpich.a" ; then
6202 <  MPI_F90LIB="-lfmpich"
6203 < elif test -f "$MPI_LIBDIR/liblamf77mpi.a" ; then
6204 <  MPI_F90LIB="-llamf77mpi"
6200 > MPI_F90_LIB=""
6201 > if test -f "$MPI_LIB_DIR/libfmpich.a" ; then
6202 >        MPI_F90_LIB="-lfmpich"
6203 > elif test -f "$MPI_LIB_DIR/liblamf77mpi.a" ; then
6204 >        MPI_F90_LIB="-llamf77mpi"
6205   else
6206 <  # nothing special found, we'll assume that the C library is all we need
6205 <  MPI_F90LIB="  "
6206 >                        MPI_F90_LIB="  "
6207   fi
6208 < echo "$as_me:$LINENO: result: found $MPI_F90LIB" >&5
6209 < echo "${ECHO_T}found $MPI_F90LIB" >&6
6208 > echo "$as_me:$LINENO: result: found $MPI_F90_LIB" >&5
6209 > echo "${ECHO_T}found $MPI_F90_LIB" >&6
6210 >
6211  
6212 + fi
6213  
6214  
6215  
# Line 7309 | Line 7312 | SUBDIRS="libBASS libmdtools src forceFields samples ut
7312  
7313   MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
7314  
7315 < SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party"
7315 > SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party "
7316  
7317   CFLAGS=${CFLAGS-""}
7318   CXXFLAGS=${CXXFLAGS-""}
# Line 7344 | Line 7347 | esac
7347  
7348  
7349  
7350 <          ac_config_headers="$ac_config_headers libmdtools/config.h"
7350 >                    ac_config_headers="$ac_config_headers libBASS/config.h libmdtools/config.h"
7351  
7352                                                                                                                                                                  ac_config_files="$ac_config_files Makefile libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile staticProps/Makefile third-party/Makefile samples/alkane/Makefile samples/argon/Makefile samples/beadLipid/Makefile samples/lipid/Makefile samples/metals/Makefile samples/water/Makefile"
7353  
# Line 7890 | Line 7893 | do
7893    "samples/lipid/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/lipid/Makefile" ;;
7894    "samples/metals/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/metals/Makefile" ;;
7895    "samples/water/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/Makefile" ;;
7896 +  "libBASS/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libBASS/config.h" ;;
7897    "libmdtools/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libmdtools/config.h" ;;
7898    *) { { echo "$as_me:$LINENO: error: invalid argument: $ac_config_target" >&5
7899   echo "$as_me: error: invalid argument: $ac_config_target" >&2;}
# Line 8021 | Line 8025 | s,@mpi@,$mpi,;t t
8025   s,@LEXLIB@,$LEXLIB,;t t
8026   s,@LEX_OUTPUT_ROOT@,$LEX_OUTPUT_ROOT,;t t
8027   s,@AR@,$AR,;t t
8028 < s,@mpi@,$mpi,;t t
8029 < s,@MPI_LIBDIR@,$MPI_LIBDIR,;t t
8030 < s,@MPI_INC@,$MPI_INC,;t t
8027 < s,@MPI_F90INC@,$MPI_F90INC,;t t
8028 > s,@MPI_LIB_DIR@,$MPI_LIB_DIR,;t t
8029 > s,@MPI_INC_DIR@,$MPI_INC_DIR,;t t
8030 > s,@MPI_F90_INC@,$MPI_F90_INC,;t t
8031   s,@MPI_LIB@,$MPI_LIB,;t t
8032 < s,@MPI_F90LIB@,$MPI_F90LIB,;t t
8032 > s,@MPI_F90_LIB@,$MPI_F90_LIB,;t t
8033 > s,@USE_MPI@,$USE_MPI,;t t
8034   s,@CPP@,$CPP,;t t
8035   s,@EGREP@,$EGREP,;t t
8036   s,@SPRNG_LIBDIR@,$SPRNG_LIBDIR,;t t

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