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root/OpenMD/trunk/configure
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Comparing trunk/configure (file contents):
Revision 974 by gezelter, Thu May 25 15:19:34 2006 UTC vs.
Revision 1036 by gezelter, Mon Sep 4 13:37:15 2006 UTC

# Line 1655 | Line 1655 | if test -n "$ac_tool_prefix"; then
1655   ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
1656   ac_compiler_gnu=$ac_cv_cxx_compiler_gnu
1657   if test -n "$ac_tool_prefix"; then
1658 <  for ac_prog in $CCC icpc icc pgCC pathCC c++ xlc++ xlC g++ CC
1658 >  for ac_prog in $CCC mpicxx icpc pathCC pgCC c++ xlc++ xlC g++ CC
1659    do
1660      # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
1661   set dummy $ac_tool_prefix$ac_prog; ac_word=$2
# Line 1697 | Line 1697 | if test -z "$CXX"; then
1697   fi
1698   if test -z "$CXX"; then
1699    ac_ct_CXX=$CXX
1700 <  for ac_prog in $CCC icpc icc pgCC pathCC c++ xlc++ xlC g++ CC
1700 >  for ac_prog in $CCC mpicxx icpc pathCC pgCC c++ xlc++ xlC g++ CC
1701   do
1702    # Extract the first word of "$ac_prog", so it can be a program name with args.
1703   set dummy $ac_prog; ac_word=$2
# Line 2211 | Line 2211 | if test -n "$ac_tool_prefix"; then
2211   ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
2212   ac_compiler_gnu=$ac_cv_c_compiler_gnu
2213   if test -n "$ac_tool_prefix"; then
2214 <  for ac_prog in icc pgcc pathcc cc xlc gcc
2214 >  for ac_prog in mpicc icc pathcc pgcc cc xlc gcc
2215    do
2216      # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
2217   set dummy $ac_tool_prefix$ac_prog; ac_word=$2
# Line 2253 | Line 2253 | if test -z "$CC"; then
2253   fi
2254   if test -z "$CC"; then
2255    ac_ct_CC=$CC
2256 <  for ac_prog in icc pgcc pathcc cc xlc gcc
2256 >  for ac_prog in mpicc icc pathcc pgcc cc xlc gcc
2257   do
2258    # Extract the first word of "$ac_prog", so it can be a program name with args.
2259   set dummy $ac_prog; ac_word=$2
# Line 2722 | Line 2722 | if test -n "$ac_tool_prefix"; then
2722   ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $FCFLAGS_SRCEXT conftest.$ac_ext $LIBS >&5'
2723   ac_compiler_gnu=$ac_cv_fc_compiler_gnu
2724   if test -n "$ac_tool_prefix"; then
2725 <  for ac_prog in ifort ifc pgf95 pathf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort
2725 >  for ac_prog in mpif90 ifort ifc pathf95 pgf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort
2726    do
2727      # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
2728   set dummy $ac_tool_prefix$ac_prog; ac_word=$2
# Line 2764 | Line 2764 | if test -z "$FC"; then
2764   fi
2765   if test -z "$FC"; then
2766    ac_ct_FC=$FC
2767 <  for ac_prog in ifort ifc pgf95 pathf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort
2767 >  for ac_prog in mpif90 ifort ifc pathf95 pgf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort
2768   do
2769    # Extract the first word of "$ac_prog", so it can be a program name with args.
2770   set dummy $ac_prog; ac_word=$2
# Line 6148 | Line 6148 | else
6148    withval="$with_fftw"
6149    fftw_dir="$withval"
6150   else
6151 <                fftw_dir="not_set"
6151 >             fftw_dir="not_set"
6152   fi;
6153   if test "$fftw_dir" != "no"; then
6154 <
6155 < if test "$fftw_dir" != "not_set" ; then
6156 <  if test -d "$fftw_dir"
6157 <  then
6158 <    FFTW_HOME="$fftw_dir"
6159 <  else
6160 <    { echo "$as_me:$LINENO: WARNING: Sorry, $fftw_dir does not exist, checking usual places" >&5
6154 >  if test "$fftw_dir" != "not_set" ; then
6155 >    if test -d "$fftw_dir"; then
6156 >      FFTW_HOME="$fftw_dir"
6157 >    else
6158 >      { echo "$as_me:$LINENO: WARNING: Sorry, $fftw_dir does not exist, checking usual places" >&5
6159   echo "$as_me: WARNING: Sorry, $fftw_dir does not exist, checking usual places" >&2;}
6160 <  fi
6161 < fi
6164 <
6165 < FFTW_HOME=/usr/local
6166 < if test ! -f "${FFTW_HOME}/include/fftw3.h" -o -f "${FFTW_HOME}/include/fftw.h" -o  -f "${FFTW_HOME}/include/dfftw.h"
6167 < then
6160 >      FFTW_HOME=/usr/local
6161 >      if test ! -f "${FFTW_HOME}/include/fftw3.h" -o -f "${FFTW_HOME}/include/fftw.h" -o  -f "${FFTW_HOME}/include/dfftw.h"; then
6162          FFTW_HOME=/usr
6163 < fi
6164 <
6165 < #
6166 < # Locate fftw, if wanted
6167 < #
6168 < if test -n "${FFTW_HOME}"
6169 < then
6170 <        FFTW_OLD_LDFLAGS=$LDFLAGS
6171 <        FFTW_OLD_CPPFLAGS=$LDFLAGS
6172 <        LDFLAGS="$LDFLAGS -L${FFTW_HOME}/lib"
6179 <        CPPFLAGS="$CPPFLAGS -I${FFTW_HOME}/include"
6163 >      fi
6164 >    fi
6165 >    #
6166 >    # Locate fftw, if wanted
6167 >    #
6168 >    if test -n "${FFTW_HOME}"; then
6169 >      FFTW_OLD_LDFLAGS=$LDFLAGS
6170 >      FFTW_OLD_CPPFLAGS=$LDFLAGS
6171 >      LDFLAGS="$LDFLAGS -L${FFTW_HOME}/lib"
6172 >      CPPFLAGS="$CPPFLAGS -I${FFTW_HOME}/include"
6173  
6174  
6175 <        ac_ext=c
6175 >      ac_ext=c
6176   ac_cpp='$CPP $CPPFLAGS'
6177   ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
6178   ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
6179   ac_compiler_gnu=$ac_cv_c_compiler_gnu
6180  
6181 <        echo "$as_me:$LINENO: checking for fftw_execute in -lfftw3" >&5
6181 >      echo "$as_me:$LINENO: checking for fftw_execute in -lfftw3" >&5
6182   echo $ECHO_N "checking for fftw_execute in -lfftw3... $ECHO_C" >&6
6183   if test "${ac_cv_lib_fftw3_fftw_execute+set}" = set; then
6184    echo $ECHO_N "(cached) $ECHO_C" >&6
# Line 6263 | Line 6256 | fi
6256    fftw_cv_libfftw3=no
6257   fi
6258  
6259 <        if test "${ac_cv_header_fftw3_h+set}" = set; then
6259 >      if test "${ac_cv_header_fftw3_h+set}" = set; then
6260    echo "$as_me:$LINENO: checking for fftw3.h" >&5
6261   echo $ECHO_N "checking for fftw3.h... $ECHO_C" >&6
6262   if test "${ac_cv_header_fftw3_h+set}" = set; then
# Line 6407 | Line 6400 | fi
6400   fi
6401  
6402  
6403 <        if test "$fftw_cv_libfftw3" = "no" -o "$fftw_cv_fftw3_h" = "no"
6404 <        then
6412 <                echo "$as_me:$LINENO: checking for fftwnd_one in -lfftw" >&5
6403 >      if test "$fftw_cv_libfftw3" = "no" -o "$fftw_cv_fftw3_h" = "no"; then
6404 >        echo "$as_me:$LINENO: checking for fftwnd_one in -lfftw" >&5
6405   echo $ECHO_N "checking for fftwnd_one in -lfftw... $ECHO_C" >&6
6406   if test "${ac_cv_lib_fftw_fftwnd_one+set}" = set; then
6407    echo $ECHO_N "(cached) $ECHO_C" >&6
# Line 6487 | Line 6479 | fi
6479    fftw_cv_libfftw=no
6480   fi
6481  
6482 <                if test "${ac_cv_header_fftw_h+set}" = set; then
6482 >        if test "${ac_cv_header_fftw_h+set}" = set; then
6483    echo "$as_me:$LINENO: checking for fftw.h" >&5
6484   echo $ECHO_N "checking for fftw.h... $ECHO_C" >&6
6485   if test "${ac_cv_header_fftw_h+set}" = set; then
# Line 6631 | Line 6623 | fi
6623   fi
6624  
6625  
6626 <                if test "$fftw_cv_libfftw" = "no" -o "$fftw_cv_fftw_h" = "no"
6627 <                then
6636 <                        echo "$as_me:$LINENO: checking for fftwnd_one in -ldfftw" >&5
6626 >        if test "$fftw_cv_libfftw" = "no" -o "$fftw_cv_fftw_h" = "no"; then
6627 >          echo "$as_me:$LINENO: checking for fftwnd_one in -ldfftw" >&5
6628   echo $ECHO_N "checking for fftwnd_one in -ldfftw... $ECHO_C" >&6
6629   if test "${ac_cv_lib_dfftw_fftwnd_one+set}" = set; then
6630    echo $ECHO_N "(cached) $ECHO_C" >&6
# Line 6711 | Line 6702 | fi
6702    fftw_cv_libdfftw=no
6703   fi
6704  
6705 <                        if test "${ac_cv_header_dfftw_h+set}" = set; then
6705 >          if test "${ac_cv_header_dfftw_h+set}" = set; then
6706    echo "$as_me:$LINENO: checking for dfftw.h" >&5
6707   echo $ECHO_N "checking for dfftw.h... $ECHO_C" >&6
6708   if test "${ac_cv_header_dfftw_h+set}" = set; then
# Line 6855 | Line 6846 | fi
6846   fi
6847  
6848  
6858 –                fi
6849          fi
6850 <        ac_ext=c
6850 >      fi
6851 >      ac_ext=c
6852   ac_cpp='$CPP $CPPFLAGS'
6853   ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
6854   ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
6855   ac_compiler_gnu=$ac_cv_c_compiler_gnu
6856  
6857 +      if test "$fftw_cv_libfftw3" = "yes" -a "$fftw_cv_fftw3_h" = "yes"; then
6858  
6867 –        if test "$fftw_cv_libfftw3" = "yes" -a "$fftw_cv_fftw3_h" = "yes"
6868 –        then
6869 –
6859   cat >>confdefs.h <<\_ACEOF
6860   #define HAVE_FFTW3_H 1
6861   _ACEOF
6862  
6863 <                FFTW_INC_DIR="${FFTW_HOME}/include"
6864 <                FFTW_LIB_DIR="${FFTW_HOME}/lib"
6865 <                FFTW_LIBS="-lfftw3"
6866 <        else
6867 <        if test "$fftw_cv_libfftw" = "yes" -a "$fftw_cv_fftw_h" = "yes"
6879 <        then
6863 >        FFTW_INC_DIR="${FFTW_HOME}/include"
6864 >        FFTW_LIB_DIR="${FFTW_HOME}/lib"
6865 >        FFTW_LIBS="-lfftw3"
6866 >      else
6867 >        if test "$fftw_cv_libfftw" = "yes" -a "$fftw_cv_fftw_h" = "yes"; then
6868  
6869   cat >>confdefs.h <<\_ACEOF
6870   #define HAVE_FFTW_H 1
6871   _ACEOF
6872  
6873 <                FFTW_INC_DIR="${FFTW_HOME}/include"
6874 <                FFTW_LIB_DIR="${FFTW_HOME}/lib"
6875 <                FFTW_LIBS="-lfftw"
6873 >          FFTW_INC_DIR="${FFTW_HOME}/include"
6874 >          FFTW_LIB_DIR="${FFTW_HOME}/lib"
6875 >          FFTW_LIBS="-lfftw"
6876          else
6877 <        if test "$fftw_cv_libdfftw" = "yes" -a "$fftw_cv_dfftw_h" = "yes"
6890 <        then
6877 >          if test "$fftw_cv_libdfftw" = "yes" -a "$fftw_cv_dfftw_h" = "yes"; then
6878  
6879   cat >>confdefs.h <<\_ACEOF
6880   #define HAVE_DFFTW_H 1
6881   _ACEOF
6882  
6883 <                FFTW_INC_DIR="${FFTW_HOME}/include"
6884 <                FFTW_LIB_DIR="${FFTW_HOME}/lib"
6885 <                FFTW_LIBS="-ldfftw"
6886 <        else
6887 <                echo "$as_me:$LINENO: checking fftw in ${FFTW_HOME}" >&5
6883 >            FFTW_INC_DIR="${FFTW_HOME}/include"
6884 >            FFTW_LIB_DIR="${FFTW_HOME}/lib"
6885 >            FFTW_LIBS="-ldfftw"
6886 >          else
6887 >            echo "$as_me:$LINENO: checking fftw in ${FFTW_HOME}" >&5
6888   echo $ECHO_N "checking fftw in ${FFTW_HOME}... $ECHO_C" >&6
6889 <                FFTW_INC_DIR=
6890 <                FFTW_LIB_DIR=
6891 <                FFTW_LIBS=
6892 <                LDFLAGS="$FFTW_OLD_LDFLAGS"
6893 <                CPPFLAGS="$FFTW_OLD_CPPFLAGS"
6894 <                echo "$as_me:$LINENO: result: failed" >&5
6889 >            FFTW_INC_DIR=
6890 >            FFTW_LIB_DIR=
6891 >            FFTW_LIBS=
6892 >            LDFLAGS="$FFTW_OLD_LDFLAGS"
6893 >            CPPFLAGS="$FFTW_OLD_CPPFLAGS"
6894 >            echo "$as_me:$LINENO: result: failed" >&5
6895   echo "${ECHO_T}failed" >&6
6896 <        echo ""
6897 <        echo "*********************************************************"
6898 <        echo "* WARNING: Could not find a working FFTW installation   *"
6899 <        echo "* If you need the staticProps program to be able to     *"
6900 <        echo "* compute undulation spectra, be sure to specify a      *"
6901 <        echo "* valid fftw installation with --with-fftw=DIR          *"
6902 <        echo "*                                                       *"
6903 <        echo "* OOPSE will still work without fftw installed.         *"
6904 <        echo "*********************************************************"
6905 <        echo ""
6906 <        fi
6920 <        fi
6896 >            echo ""
6897 >            echo "*********************************************************"
6898 >            echo "* WARNING: Could not find a working FFTW installation   *"
6899 >            echo "* If you need the staticProps program to be able to     *"
6900 >            echo "* compute undulation spectra, be sure to specify a      *"
6901 >            echo "* valid fftw installation with --with-fftw=DIR          *"
6902 >            echo "*                                                       *"
6903 >            echo "* OOPSE will still work without fftw installed.         *"
6904 >            echo "*********************************************************"
6905 >            echo ""
6906 >          fi
6907          fi
6908 +      fi
6909  
6910  
6911  
6912 < fi
6912 >    fi
6913 >  fi
6914   fi
6915  
6916  
# Line 11941 | Line 11929 | if test "$ac_test_FFLAGS" != "set"; then
11929    case "${host_cpu}-${host_os}" in
11930  
11931    *linux*) if test "$FC" = ifc -o "$FC" = ifort; then
11932 <                    FCFLAGS="-O3 -ip -no-prec-div -cxxlib-icc"
11932 >                    FCFLAGS="-O3 -ip -no-prec-div"
11933                  fi;;
11934     rs6000*-aix*)  if test "$FC" = xlf90 -o "$FC" = f90 -o "$FC" = xlf95; then
11935                      FCFLAGS="-O3 -qarch=pwrx -qtune=pwrx -qansialias -w"
# Line 12996 | Line 12984 | MPI_INC_DIR="$MPI/include"
12984   # Set variables...
12985   MPI_LIB_DIR="$MPI/lib"
12986   MPI_INC_DIR="$MPI/include"
12987 +
12988  
12989  
12990 + ac_ext=c
12991 + ac_cpp='$CPP $CPPFLAGS'
12992 + ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
12993 + ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
12994 + ac_compiler_gnu=$ac_cv_c_compiler_gnu
12995  
12996   echo "$as_me:$LINENO: checking for mpi.h" >&5
12997   echo $ECHO_N "checking for mpi.h... $ECHO_C" >&6
12998   have_mpi_h=0
12999   rm -f conftest*
13000 < echo '#include <mpi.h>' > conftest.cc
13001 < if ${CXX} -I${MPI_INC_DIR} -c conftest.cc 2>&1 ; then
13000 > echo '#include <mpi.h>' > conftest.c
13001 > if ${CC} -I${MPI_INC_DIR} -c conftest.c 2>&1 ; then
13002          echo "$as_me:$LINENO: result: yes" >&5
13003   echo "${ECHO_T}yes" >&6
13004          have_mpi_h=1
# Line 13068 | Line 13062 | ac_ext=$ac_save_ext
13062   fi
13063   FCFLAGS=$ac_save_FCFLAGS
13064   ac_ext=$ac_save_ext
13065 < ac_ext=cc
13066 < ac_cpp='$CXXCPP $CPPFLAGS'
13067 < ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5'
13068 < ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
13069 < ac_compiler_gnu=$ac_cv_cxx_compiler_gnu
13065 > ac_ext=c
13066 > ac_cpp='$CPP $CPPFLAGS'
13067 > ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
13068 > ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
13069 > ac_compiler_gnu=$ac_cv_c_compiler_gnu
13070  
13071  
13072   ac_ext=c
# Line 13164 | Line 13158 | if test x = x"$MPI_LIB"; then
13158   fi
13159   $as_unset ac_cv_lib_mpich_MPI_Init
13160   if test x = x"$MPI_LIB"; then
13167 –        # absolute insanity if profiling libraries are required to get mpich to work
13161          echo "$as_me:$LINENO: checking for MPI_Init in -lpmpich" >&5
13162   echo $ECHO_N "checking for MPI_Init in -lpmpich... $ECHO_C" >&6
13163   if test "${ac_cv_lib_pmpich_MPI_Init+set}" = set; then
13164    echo $ECHO_N "(cached) $ECHO_C" >&6
13165   else
13166    ac_check_lib_save_LIBS=$LIBS
13167 < LIBS="-lpmpich "-lmpich -lpmpich -lmpich" $LIBS"
13167 > LIBS="-lpmpich -lmpich -lpmpich -lmpich $LIBS"
13168   cat >conftest.$ac_ext <<_ACEOF
13169   /* confdefs.h.  */
13170   _ACEOF
# Line 13328 | Line 13321 | else
13321    echo $ECHO_N "(cached) $ECHO_C" >&6
13322   else
13323    ac_check_lib_save_LIBS=$LIBS
13324 < LIBS="-lmpi "-llam" $LIBS"
13324 > LIBS="-lmpi -llam $LIBS"
13325   cat >conftest.$ac_ext <<_ACEOF
13326   /* confdefs.h.  */
13327   _ACEOF
# Line 14113 | Line 14106 | fi
14106  
14107  
14108  
14109 <                                        ac_config_files="$ac_config_files make/Makefile src/utils/Makefile src/applications/nanoRodBuilder/Makefile scripts/filepp"
14109 >                                                            ac_config_files="$ac_config_files make/Makefile src/utils/Makefile src/applications/nanoRodBuilder/Makefile src/applications/utilities/affineScale src/applications/utilities/waterBoxer scripts/filepp"
14110  
14111  
14112   cat >confcache <<\_ACEOF
# Line 14647 | Line 14640 | do
14640    "make/Makefile" ) CONFIG_FILES="$CONFIG_FILES make/Makefile" ;;
14641    "src/utils/Makefile" ) CONFIG_FILES="$CONFIG_FILES src/utils/Makefile" ;;
14642    "src/applications/nanoRodBuilder/Makefile" ) CONFIG_FILES="$CONFIG_FILES src/applications/nanoRodBuilder/Makefile" ;;
14643 +  "src/applications/utilities/affineScale" ) CONFIG_FILES="$CONFIG_FILES src/applications/utilities/affineScale" ;;
14644 +  "src/applications/utilities/waterBoxer" ) CONFIG_FILES="$CONFIG_FILES src/applications/utilities/waterBoxer" ;;
14645    "scripts/filepp" ) CONFIG_FILES="$CONFIG_FILES scripts/filepp" ;;
14646    "src/getopt.h" ) CONFIG_LINKS="$CONFIG_LINKS src/getopt.h:src/utils/gnugetopt.h" ;;
14647    "src/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS src/config.h" ;;
# Line 15059 | Line 15054 | s,@INSTALL@,$ac_INSTALL,;t t
15054      make/Makefile ) chmod 0755 scripts/* ;;
15055      src/utils/Makefile ) chmod 0755 scripts/* ;;
15056      src/applications/nanoRodBuilder/Makefile ) chmod 0755 scripts/* ;;
15057 +    src/applications/utilities/affineScale ) chmod 0755 scripts/* ;;
15058 +    src/applications/utilities/waterBoxer ) chmod 0755 scripts/* ;;
15059      scripts/filepp ) chmod 0755 scripts/* ;;
15060    esac
15061   done

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