--- trunk/configure 2006/05/25 14:54:41 973 +++ trunk/configure 2006/09/04 13:37:15 1036 @@ -1655,7 +1655,7 @@ if test -n "$ac_tool_prefix"; then ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' ac_compiler_gnu=$ac_cv_cxx_compiler_gnu if test -n "$ac_tool_prefix"; then - for ac_prog in $CCC icpc icc pgCC pathCC c++ xlc++ xlC g++ CC + for ac_prog in $CCC mpicxx icpc pathCC pgCC c++ xlc++ xlC g++ CC do # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. set dummy $ac_tool_prefix$ac_prog; ac_word=$2 @@ -1697,7 +1697,7 @@ if test -z "$CXX"; then fi if test -z "$CXX"; then ac_ct_CXX=$CXX - for ac_prog in $CCC icpc icc pgCC pathCC c++ xlc++ xlC g++ CC + for ac_prog in $CCC mpicxx icpc pathCC pgCC c++ xlc++ xlC g++ CC do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -2211,7 +2211,7 @@ if test -n "$ac_tool_prefix"; then ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' ac_compiler_gnu=$ac_cv_c_compiler_gnu if test -n "$ac_tool_prefix"; then - for ac_prog in icc pgcc pathcc cc xlc gcc + for ac_prog in mpicc icc pathcc pgcc cc xlc gcc do # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. set dummy $ac_tool_prefix$ac_prog; ac_word=$2 @@ -2253,7 +2253,7 @@ if test -z "$CC"; then fi if test -z "$CC"; then ac_ct_CC=$CC - for ac_prog in icc pgcc pathcc cc xlc gcc + for ac_prog in mpicc icc pathcc pgcc cc xlc gcc do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -2722,7 +2722,7 @@ if test -n "$ac_tool_prefix"; then ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $FCFLAGS_SRCEXT conftest.$ac_ext $LIBS >&5' ac_compiler_gnu=$ac_cv_fc_compiler_gnu if test -n "$ac_tool_prefix"; then - for ac_prog in ifort ifc pgf95 pathf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort + for ac_prog in mpif90 ifort ifc pathf95 pgf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort do # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. set dummy $ac_tool_prefix$ac_prog; ac_word=$2 @@ -2764,7 +2764,7 @@ if test -z "$FC"; then fi if test -z "$FC"; then ac_ct_FC=$FC - for ac_prog in ifort ifc pgf95 pathf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort + for ac_prog in mpif90 ifort ifc pathf95 pgf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -6148,44 +6148,37 @@ else withval="$with_fftw" fftw_dir="$withval" else - fftw_dir="not_set" + fftw_dir="not_set" fi; if test "$fftw_dir" != "no"; then - -if test "$fftw_dir" != "not_set" ; then - if test -d "$fftw_dir" - then - FFTW_HOME="$fftw_dir" - else - { echo "$as_me:$LINENO: WARNING: Sorry, $fftw_dir does not exist, checking usual places" >&5 -echo "$as_me: WARNING: Sorry, $fftw_dir does not exist, checking usual places" >&2;} - fi -fi - -FFTW_HOME=/usr/local -if test ! -f "${FFTW_HOME}/include/fftw3.h" -o -f "${FFTW_HOME}/include/fftw.h" -o -f "${FFTW_HOME}/include/dfftw.h" -then + if test "$fftw_dir" != "not_set" ; then + if test -d "$fftw_dir"; then + FFTW_HOME="$fftw_dir" + else + { echo "$as_me:$LINENO: WARNING: Sorry, $fftw_dir does not exist, checking usual places" >&5 +echo "$as_me: WARNING: Sorry, $fftw_dir does not exist, checking usual places" >&2;} + FFTW_HOME=/usr/local + if test ! -f "${FFTW_HOME}/include/fftw3.h" -o -f "${FFTW_HOME}/include/fftw.h" -o -f "${FFTW_HOME}/include/dfftw.h"; then FFTW_HOME=/usr -fi - -# -# Locate fftw, if wanted -# -if test -n "${FFTW_HOME}" -then - FFTW_OLD_LDFLAGS=$LDFLAGS - FFTW_OLD_CPPFLAGS=$LDFLAGS - LDFLAGS="$LDFLAGS -L${FFTW_HOME}/lib" - CPPFLAGS="$CPPFLAGS -I${FFTW_HOME}/include" + fi + fi + # + # Locate fftw, if wanted + # + if test -n "${FFTW_HOME}"; then + FFTW_OLD_LDFLAGS=$LDFLAGS + FFTW_OLD_CPPFLAGS=$LDFLAGS + LDFLAGS="$LDFLAGS -L${FFTW_HOME}/lib" + CPPFLAGS="$CPPFLAGS -I${FFTW_HOME}/include" - ac_ext=c + ac_ext=c ac_cpp='$CPP $CPPFLAGS' ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' ac_compiler_gnu=$ac_cv_c_compiler_gnu - echo "$as_me:$LINENO: checking for fftw_execute in -lfftw3" >&5 + echo "$as_me:$LINENO: checking for fftw_execute in -lfftw3" >&5 echo $ECHO_N "checking for fftw_execute in -lfftw3... $ECHO_C" >&6 if test "${ac_cv_lib_fftw3_fftw_execute+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 @@ -6263,7 +6256,7 @@ fi fftw_cv_libfftw3=no fi - if test "${ac_cv_header_fftw3_h+set}" = set; then + if test "${ac_cv_header_fftw3_h+set}" = set; then echo "$as_me:$LINENO: checking for fftw3.h" >&5 echo $ECHO_N "checking for fftw3.h... $ECHO_C" >&6 if test "${ac_cv_header_fftw3_h+set}" = set; then @@ -6407,9 +6400,8 @@ fi fi - if test "$fftw_cv_libfftw3" = "no" -o "$fftw_cv_fftw3_h" = "no" - then - echo "$as_me:$LINENO: checking for fftwnd_one in -lfftw" >&5 + if test "$fftw_cv_libfftw3" = "no" -o "$fftw_cv_fftw3_h" = "no"; then + echo "$as_me:$LINENO: checking for fftwnd_one in -lfftw" >&5 echo $ECHO_N "checking for fftwnd_one in -lfftw... $ECHO_C" >&6 if test "${ac_cv_lib_fftw_fftwnd_one+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 @@ -6487,7 +6479,7 @@ fi fftw_cv_libfftw=no fi - if test "${ac_cv_header_fftw_h+set}" = set; then + if test "${ac_cv_header_fftw_h+set}" = set; then echo "$as_me:$LINENO: checking for fftw.h" >&5 echo $ECHO_N "checking for fftw.h... $ECHO_C" >&6 if test "${ac_cv_header_fftw_h+set}" = set; then @@ -6631,9 +6623,8 @@ fi fi - if test "$fftw_cv_libfftw" = "no" -o "$fftw_cv_fftw_h" = "no" - then - echo "$as_me:$LINENO: checking for fftwnd_one in -ldfftw" >&5 + if test "$fftw_cv_libfftw" = "no" -o "$fftw_cv_fftw_h" = "no"; then + echo "$as_me:$LINENO: checking for fftwnd_one in -ldfftw" >&5 echo $ECHO_N "checking for fftwnd_one in -ldfftw... $ECHO_C" >&6 if test "${ac_cv_lib_dfftw_fftwnd_one+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 @@ -6711,7 +6702,7 @@ fi fftw_cv_libdfftw=no fi - if test "${ac_cv_header_dfftw_h+set}" = set; then + if test "${ac_cv_header_dfftw_h+set}" = set; then echo "$as_me:$LINENO: checking for dfftw.h" >&5 echo $ECHO_N "checking for dfftw.h... $ECHO_C" >&6 if test "${ac_cv_header_dfftw_h+set}" = set; then @@ -6855,74 +6846,71 @@ fi fi - fi fi - ac_ext=c + fi + ac_ext=c ac_cpp='$CPP $CPPFLAGS' ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' ac_compiler_gnu=$ac_cv_c_compiler_gnu - - if test "$fftw_cv_libfftw3" = "yes" -a "$fftw_cv_fftw3_h" = "yes" - then + if test "$fftw_cv_libfftw3" = "yes" -a "$fftw_cv_fftw3_h" = "yes"; then cat >>confdefs.h <<\_ACEOF #define HAVE_FFTW3_H 1 _ACEOF - FFTW_INC_DIR="${FFTW_HOME}/include" - FFTW_LIB_DIR="${FFTW_HOME}/lib" - FFTW_LIBS="-lfftw3" - else - if test "$fftw_cv_libfftw" = "yes" -a "$fftw_cv_fftw_h" = "yes" - then + FFTW_INC_DIR="${FFTW_HOME}/include" + FFTW_LIB_DIR="${FFTW_HOME}/lib" + FFTW_LIBS="-lfftw3" + else + if test "$fftw_cv_libfftw" = "yes" -a "$fftw_cv_fftw_h" = "yes"; then cat >>confdefs.h <<\_ACEOF #define HAVE_FFTW_H 1 _ACEOF - FFTW_INC_DIR="${FFTW_HOME}/include" - FFTW_LIB_DIR="${FFTW_HOME}/lib" - FFTW_LIBS="-lfftw" + FFTW_INC_DIR="${FFTW_HOME}/include" + FFTW_LIB_DIR="${FFTW_HOME}/lib" + FFTW_LIBS="-lfftw" else - if test "$fftw_cv_libdfftw" = "yes" -a "$fftw_cv_dfftw_h" = "yes" - then + if test "$fftw_cv_libdfftw" = "yes" -a "$fftw_cv_dfftw_h" = "yes"; then cat >>confdefs.h <<\_ACEOF #define HAVE_DFFTW_H 1 _ACEOF - FFTW_INC_DIR="${FFTW_HOME}/include" - FFTW_LIB_DIR="${FFTW_HOME}/lib" - FFTW_LIBS="-ldfftw" - else - echo "$as_me:$LINENO: checking fftw in ${FFTW_HOME}" >&5 + FFTW_INC_DIR="${FFTW_HOME}/include" + FFTW_LIB_DIR="${FFTW_HOME}/lib" + FFTW_LIBS="-ldfftw" + else + echo "$as_me:$LINENO: checking fftw in ${FFTW_HOME}" >&5 echo $ECHO_N "checking fftw in ${FFTW_HOME}... $ECHO_C" >&6 - FFTW_INC_DIR= - FFTW_LIB_DIR= - FFTW_LIBS= - LDFLAGS="$FFTW_OLD_LDFLAGS" - CPPFLAGS="$FFTW_OLD_CPPFLAGS" - echo "$as_me:$LINENO: result: failed" >&5 -echo "${ECHO_T}failed" >&6 - echo "" - echo "*********************************************************" - echo "* WARNING: Could not find a working FFTW installation *" - echo "* If you need the staticProps program to be able to *" - echo "* compute undulation spectra, be sure to specify a *" - echo "* valid fftw installation with --with-fftw=DIR *" - echo "* *" - echo "* OOPSE will still work without fftw installed. *" - echo "*********************************************************" - echo "" - fi - fi + FFTW_INC_DIR= + FFTW_LIB_DIR= + FFTW_LIBS= + LDFLAGS="$FFTW_OLD_LDFLAGS" + CPPFLAGS="$FFTW_OLD_CPPFLAGS" + echo "$as_me:$LINENO: result: failed" >&5 +echo "${ECHO_T}failed" >&6 + echo "" + echo "*********************************************************" + echo "* WARNING: Could not find a working FFTW installation *" + echo "* If you need the staticProps program to be able to *" + echo "* compute undulation spectra, be sure to specify a *" + echo "* valid fftw installation with --with-fftw=DIR *" + echo "* *" + echo "* OOPSE will still work without fftw installed. *" + echo "*********************************************************" + echo "" + fi fi + fi -fi + fi + fi fi @@ -11941,7 +11929,7 @@ if test "$ac_test_FFLAGS" != "set"; then case "${host_cpu}-${host_os}" in *linux*) if test "$FC" = ifc -o "$FC" = ifort; then - FCFLAGS="-O3 -ip -no-prec-div -cxxlib-icc" + FCFLAGS="-O3 -ip -no-prec-div" fi;; rs6000*-aix*) if test "$FC" = xlf90 -o "$FC" = f90 -o "$FC" = xlf95; then FCFLAGS="-O3 -qarch=pwrx -qtune=pwrx -qansialias -w" @@ -12999,12 +12987,18 @@ MPI_INC_DIR="$MPI/include" +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu + echo "$as_me:$LINENO: checking for mpi.h" >&5 echo $ECHO_N "checking for mpi.h... $ECHO_C" >&6 have_mpi_h=0 rm -f conftest* -echo '#include ' > conftest.cc -if ${CXX} -I${MPI_INC_DIR} -c conftest.cc 2>&1 ; then +echo '#include ' > conftest.c +if ${CC} -I${MPI_INC_DIR} -c conftest.c 2>&1 ; then echo "$as_me:$LINENO: result: yes" >&5 echo "${ECHO_T}yes" >&6 have_mpi_h=1 @@ -13068,11 +13062,11 @@ ac_ext=$ac_save_ext fi FCFLAGS=$ac_save_FCFLAGS ac_ext=$ac_save_ext -ac_ext=cc -ac_cpp='$CXXCPP $CPPFLAGS' -ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5' -ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -ac_compiler_gnu=$ac_cv_cxx_compiler_gnu +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu ac_ext=c @@ -13164,13 +13158,13 @@ if test x = x"$MPI_LIB"; then fi $as_unset ac_cv_lib_mpich_MPI_Init if test x = x"$MPI_LIB"; then - echo "$as_me:$LINENO: checking for MPI_Init in -lmpich" >&5 -echo $ECHO_N "checking for MPI_Init in -lmpich... $ECHO_C" >&6 -if test "${ac_cv_lib_mpich_MPI_Init+set}" = set; then + echo "$as_me:$LINENO: checking for MPI_Init in -lpmpich" >&5 +echo $ECHO_N "checking for MPI_Init in -lpmpich... $ECHO_C" >&6 +if test "${ac_cv_lib_pmpich_MPI_Init+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 else ac_check_lib_save_LIBS=$LIBS -LIBS="-lmpich "-lpmpich" $LIBS" +LIBS="-lpmpich -lmpich -lpmpich -lmpich $LIBS" cat >conftest.$ac_ext <<_ACEOF /* confdefs.h. */ _ACEOF @@ -13223,21 +13217,21 @@ if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 ac_status=$? echo "$as_me:$LINENO: \$? = $ac_status" >&5 (exit $ac_status); }; }; then - ac_cv_lib_mpich_MPI_Init=yes + ac_cv_lib_pmpich_MPI_Init=yes else echo "$as_me: failed program was:" >&5 sed 's/^/| /' conftest.$ac_ext >&5 -ac_cv_lib_mpich_MPI_Init=no +ac_cv_lib_pmpich_MPI_Init=no fi rm -f conftest.err conftest.$ac_objext \ conftest$ac_exeext conftest.$ac_ext LIBS=$ac_check_lib_save_LIBS fi -echo "$as_me:$LINENO: result: $ac_cv_lib_mpich_MPI_Init" >&5 -echo "${ECHO_T}$ac_cv_lib_mpich_MPI_Init" >&6 -if test $ac_cv_lib_mpich_MPI_Init = yes; then - MPI_LIB="-lpmpich -lmpich" +echo "$as_me:$LINENO: result: $ac_cv_lib_pmpich_MPI_Init" >&5 +echo "${ECHO_T}$ac_cv_lib_pmpich_MPI_Init" >&6 +if test $ac_cv_lib_pmpich_MPI_Init = yes; then + MPI_LIB="-lpmpich -lmpich -lpmpich -lmpich" fi fi @@ -13327,7 +13321,7 @@ else echo $ECHO_N "(cached) $ECHO_C" >&6 else ac_check_lib_save_LIBS=$LIBS -LIBS="-lmpi "-llam" $LIBS" +LIBS="-lmpi -llam $LIBS" cat >conftest.$ac_ext <<_ACEOF /* confdefs.h. */ _ACEOF @@ -14112,7 +14106,7 @@ fi - ac_config_files="$ac_config_files make/Makefile src/utils/Makefile src/applications/nanoRodBuilder/Makefile scripts/filepp" + ac_config_files="$ac_config_files make/Makefile src/utils/Makefile src/applications/nanoRodBuilder/Makefile src/applications/utilities/affineScale src/applications/utilities/waterBoxer scripts/filepp" cat >confcache <<\_ACEOF @@ -14646,6 +14640,8 @@ do "make/Makefile" ) CONFIG_FILES="$CONFIG_FILES make/Makefile" ;; "src/utils/Makefile" ) CONFIG_FILES="$CONFIG_FILES src/utils/Makefile" ;; "src/applications/nanoRodBuilder/Makefile" ) CONFIG_FILES="$CONFIG_FILES src/applications/nanoRodBuilder/Makefile" ;; + "src/applications/utilities/affineScale" ) CONFIG_FILES="$CONFIG_FILES src/applications/utilities/affineScale" ;; + "src/applications/utilities/waterBoxer" ) CONFIG_FILES="$CONFIG_FILES src/applications/utilities/waterBoxer" ;; "scripts/filepp" ) CONFIG_FILES="$CONFIG_FILES scripts/filepp" ;; "src/getopt.h" ) CONFIG_LINKS="$CONFIG_LINKS src/getopt.h:src/utils/gnugetopt.h" ;; "src/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS src/config.h" ;; @@ -15058,6 +15054,8 @@ s,@INSTALL@,$ac_INSTALL,;t t make/Makefile ) chmod 0755 scripts/* ;; src/utils/Makefile ) chmod 0755 scripts/* ;; src/applications/nanoRodBuilder/Makefile ) chmod 0755 scripts/* ;; + src/applications/utilities/affineScale ) chmod 0755 scripts/* ;; + src/applications/utilities/waterBoxer ) chmod 0755 scripts/* ;; scripts/filepp ) chmod 0755 scripts/* ;; esac done