--- trunk/configure 2006/05/16 20:38:23 957 +++ trunk/configure 2006/09/04 13:37:15 1036 @@ -312,7 +312,7 @@ ac_includes_default="\ # include #endif" -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 build build_cpu build_vendor build_os host host_cpu host_vendor host_os PROGNAME debug CXX CXXFLAGS LDFLAGS CPPFLAGS ac_ct_CXX EXEEXT OBJEXT CC CFLAGS ac_ct_CC FC FCFLAGS ac_ct_FC CPP EGREP LN_S SET_MAKE RANLIB ac_ct_RANLIB PERLINTERP PERL_SHEBANG INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA AR PS FCFLAGS_F90 FCFLAGS_SRCEXT PREPDEFFLAG FCLIBS FC_FUNC FC_FUNC_ MOD F90_WORK_FILES_ARG MODDIRFLAG F90MODINCSPEC F90_MODULE_NAMES FFTW_INC_DIR FFTW_LIB_DIR FFTW_LIBS LIBOBJS POW_LIB CXXCPP __func__ MPI_LIB_DIR MPI_INC_DIR MPI_F90_INC MPI_LIB MPI_F90_LIB USE_MPI USE_CGAL CGAL_INC_DIR CGAL_LIB_DIR CGAL_RLIB_DIR CGAL_DEFINES CGAL_CXXFLAGS CGAL_LIBS DOXYGEN DOT DOC enable_dot enable_html_docs enable_latex_docs BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS LTLIBOBJS' +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 build build_cpu build_vendor build_os host host_cpu host_vendor host_os PROGNAME debug USE_SINGLE_PRECISION CXX CXXFLAGS LDFLAGS CPPFLAGS ac_ct_CXX EXEEXT OBJEXT CC CFLAGS ac_ct_CC FC FCFLAGS ac_ct_FC CPP EGREP LN_S SET_MAKE RANLIB ac_ct_RANLIB PERLINTERP PERL_SHEBANG INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA AR PS FCFLAGS_F90 FCFLAGS_SRCEXT PREPDEFFLAG FCLIBS FC_FUNC FC_FUNC_ MOD F90_WORK_FILES_ARG MODDIRFLAG F90MODINCSPEC F90_MODULE_NAMES ZLIB_INC_DIR ZLIB_LIB_DIR ZLIB FFTW_INC_DIR FFTW_LIB_DIR FFTW_LIBS LIBOBJS POW_LIB CXXCPP __func__ MPI_LIB_DIR MPI_INC_DIR MPI_F90_INC MPI_LIB MPI_F90_LIB USE_MPI USE_CGAL CGAL_INC_DIR CGAL_LIB_DIR CGAL_RLIB_DIR CGAL_DEFINES CGAL_CXXFLAGS CGAL_LIBS DOXYGEN DOT DOC enable_dot enable_html_docs enable_latex_docs BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS LTLIBOBJS' ac_subst_files='' # Initialize some variables set by options. @@ -871,6 +871,8 @@ Optional Features: --enable-FEATURE[=ARG] include FEATURE [ARG=yes] --enable-oopse-home=DIR define oopse home dir PREFIX/oopse --enable-debug Compile OOPSE in debug mode + --enable-single compile OOPSE in single precision + --enable-float synonym for --enable-single --enable-doxygen enable documentation generation with doxygen (auto) --enable-dot use 'dot' to generate graphs in doxygen (auto) --enable-html-docs enable HTML generation with doxygen (yes) @@ -881,9 +883,8 @@ Optional Packages: --without-PACKAGE do not use PACKAGE (same as --with-PACKAGE=no) --with-perl-shebang override what perl thinks is the way for the kernel to start it (seldom needed) - --with-zlib=DIR root directory path of zlib installation defaults to - /usr/local or /usr if not found in /usr/local - --without-zlib to disable zlib usage completely + --with-zlib=DIR root directory path of zlib installation (defaults + to /usr/local or /usr if not found in /usr/local) --with-fftw=DIR root directory path of fftw installation (defaults to /usr/local or /usr if not found in /usr/local) --with-mpi= compile with MPI installed in [default=no] @@ -1431,6 +1432,7 @@ ac_configure="$SHELL $ac_aux_dir/configure" # This sho + # AC_F90_MODULE_NAMES # ------------------- # @@ -1624,6 +1626,28 @@ fi fi +# Check whether --enable-single or --disable-single was given. +if test "${enable_single+set}" = set; then + enableval="$enable_single" + ok=$enableval +else + ok=no +fi; +# Check whether --enable-float or --disable-float was given. +if test "${enable_float+set}" = set; then + enableval="$enable_float" + ok=$enableval +fi; +if test "$ok" = "yes"; then + +cat >>confdefs.h <<\_ACEOF +#define SINGLE_PRECISION 1 +_ACEOF + + USE_SINGLE_PRECISION=yes + +fi + # Checks for programs. ac_ext=cc ac_cpp='$CXXCPP $CPPFLAGS' @@ -1631,7 +1655,7 @@ if test -n "$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=$2 @@ -1673,7 +1697,7 @@ if test -z "$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=$2 @@ -2187,7 +2211,7 @@ if test -n "$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=$2 @@ -2229,7 +2253,7 @@ if test -z "$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=$2 @@ -2698,7 +2722,7 @@ if test -n "$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=$2 @@ -2740,7 +2764,7 @@ if test -z "$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=$2 @@ -2785,7 +2809,7 @@ fi # Provide some information about the compiler. -echo "$as_me:2788:" \ +echo "$as_me:2812:" \ "checking for Fortran compiler version" >&5 ac_compiler=`set X $ac_compile; echo $2` { (eval echo "$as_me:$LINENO: \"$ac_compiler --version &5\"") >&5 @@ -4033,7 +4057,7 @@ FCFLAGS="$FCFLAGS $ac_verb" # flags. ac_save_FFLAGS=$FCFLAGS FCFLAGS="$FCFLAGS $ac_verb" -(eval echo $as_me:4036: \"$ac_link\") >&5 +(eval echo $as_me:4060: \"$ac_link\") >&5 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_fc_v_output" >&5 FCFLAGS=$ac_save_FFLAGS @@ -4111,7 +4135,7 @@ FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v" # flags. ac_save_FFLAGS=$FCFLAGS FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v" -(eval echo $as_me:4114: \"$ac_link\") >&5 +(eval echo $as_me:4138: \"$ac_link\") >&5 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_fc_v_output" >&5 FCFLAGS=$ac_save_FFLAGS @@ -4847,7 +4871,7 @@ FCFLAGS="$FCFLAGS $ac_verb" # flags. ac_save_FFLAGS=$FCFLAGS FCFLAGS="$FCFLAGS $ac_verb" -(eval echo $as_me:4850: \"$ac_link\") >&5 +(eval echo $as_me:4874: \"$ac_link\") >&5 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_fc_v_output" >&5 FCFLAGS=$ac_save_FFLAGS @@ -4925,7 +4949,7 @@ FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v" # flags. ac_save_FFLAGS=$FCFLAGS FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v" -(eval echo $as_me:4928: \"$ac_link\") >&5 +(eval echo $as_me:4952: \"$ac_link\") >&5 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_fc_v_output" >&5 FCFLAGS=$ac_save_FFLAGS @@ -5802,27 +5826,25 @@ done # # Handle user hints # -echo "$as_me:$LINENO: checking if zlib is wanted" >&5 -echo $ECHO_N "checking if zlib is wanted... $ECHO_C" >&6 # Check whether --with-zlib or --without-zlib was given. if test "${with_zlib+set}" = set; then withval="$with_zlib" - if test "$withval" != no ; then - echo "$as_me:$LINENO: result: yes" >&5 -echo "${ECHO_T}yes" >&6 - if test -d "$withval" + zlib_dir="$withval" +else + zlib_dir="not_set" +fi; +if test "$zlib_dir" != "no"; then + +if test "$zlib_dir" != "not_set" ; then + if test -d "$zlib_dir" then - ZLIB_HOME="$withval" + ZLIB_HOME="$zlib_dir" else - { echo "$as_me:$LINENO: WARNING: Sorry, $withval does not exist, checking usual places" >&5 -echo "$as_me: WARNING: Sorry, $withval does not exist, checking usual places" >&2;} + { echo "$as_me:$LINENO: WARNING: Sorry, $zlib_dir does not exist, checking usual places" >&5 +echo "$as_me: WARNING: Sorry, $zlib_dir does not exist, checking usual places" >&2;} fi -else - echo "$as_me:$LINENO: result: no" >&5 -echo "${ECHO_T}no" >&6 fi -fi; ZLIB_HOME=/usr/local if test ! -f "${ZLIB_HOME}/include/zlib.h" @@ -6075,114 +6097,48 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu 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 "$zlib_cv_libz" = "yes" -a "$zlib_cv_zlib_h" = "yes" - then - # - # If both library and header were found, use them - # -echo "$as_me:$LINENO: checking for inflateEnd in -lz" >&5 -echo $ECHO_N "checking for inflateEnd in -lz... $ECHO_C" >&6 -if test "${ac_cv_lib_z_inflateEnd+set}" = set; then - echo $ECHO_N "(cached) $ECHO_C" >&6 -else - ac_check_lib_save_LIBS=$LIBS -LIBS="-lz $LIBS" -cat >conftest.$ac_ext <<_ACEOF -/* confdefs.h. */ + if test "$zlib_cv_libz" = "yes" -a "$zlib_cv_zlib_h" = "yes"; then + +cat >>confdefs.h <<\_ACEOF +#define HAVE_ZLIB_H 1 _ACEOF -cat confdefs.h >>conftest.$ac_ext -cat >>conftest.$ac_ext <<_ACEOF -/* end confdefs.h. */ -/* Override any gcc2 internal prototype to avoid an error. */ -#ifdef __cplusplus -extern "C" -#endif -/* We use char because int might match the return type of a gcc2 - builtin and then its argument prototype would still apply. */ -char inflateEnd (); -#ifdef FC_DUMMY_MAIN -#ifndef FC_DUMMY_MAIN_EQ_F77 -# ifdef __cplusplus - extern "C" -# endif - int FC_DUMMY_MAIN() { return 1; } -#endif -#endif -int -main () -{ -inflateEnd (); - ; - return 0; -} -_ACEOF -rm -f conftest.$ac_objext conftest$ac_exeext -if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 - (eval $ac_link) 2>conftest.er1 - ac_status=$? - grep -v '^ *+' conftest.er1 >conftest.err - rm -f conftest.er1 - cat conftest.err >&5 - echo "$as_me:$LINENO: \$? = $ac_status" >&5 - (exit $ac_status); } && - { ac_try='test -z "$ac_c_werror_flag" - || test ! -s conftest.err' - { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 - (eval $ac_try) 2>&5 - ac_status=$? - echo "$as_me:$LINENO: \$? = $ac_status" >&5 - (exit $ac_status); }; } && - { ac_try='test -s conftest$ac_exeext' - { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 - (eval $ac_try) 2>&5 - ac_status=$? - echo "$as_me:$LINENO: \$? = $ac_status" >&5 - (exit $ac_status); }; }; then - ac_cv_lib_z_inflateEnd=yes -else - echo "$as_me: failed program was:" >&5 -sed 's/^/| /' conftest.$ac_ext >&5 - -ac_cv_lib_z_inflateEnd=no -fi -rm -f conftest.err conftest.$ac_objext \ - conftest$ac_exeext conftest.$ac_ext -LIBS=$ac_check_lib_save_LIBS -fi -echo "$as_me:$LINENO: result: $ac_cv_lib_z_inflateEnd" >&5 -echo "${ECHO_T}$ac_cv_lib_z_inflateEnd" >&6 -if test $ac_cv_lib_z_inflateEnd = yes; then - cat >>confdefs.h <<_ACEOF + +cat >>confdefs.h <<\_ACEOF #define HAVE_LIBZ 1 _ACEOF - LIBS="-lz $LIBS" - -fi - - echo "$as_me:$LINENO: checking zlib in ${ZLIB_HOME}" >&5 -echo $ECHO_N "checking zlib in ${ZLIB_HOME}... $ECHO_C" >&6 - echo "$as_me:$LINENO: result: ok" >&5 -echo "${ECHO_T}ok" >&6 + ZLIB_INC_DIR="${ZLIB_HOME}/include" + ZLIB_LIB_DIR="${ZLIB_HOME}/lib" + ZLIB="-lz" else - # - # If either header or library was not found, revert and bomb - # echo "$as_me:$LINENO: checking zlib in ${ZLIB_HOME}" >&5 echo $ECHO_N "checking zlib in ${ZLIB_HOME}... $ECHO_C" >&6 + ZLIB_INC_DIR= + ZLIB_LIB_DIR= + ZLIB= LDFLAGS="$ZLIB_OLD_LDFLAGS" CPPFLAGS="$ZLIB_OLD_CPPFLAGS" echo "$as_me:$LINENO: result: failed" >&5 echo "${ECHO_T}failed" >&6 - { { echo "$as_me:$LINENO: error: either specify a valid zlib installation with --with-zlib=DIR or disable zlib usage with --without-zlib" >&5 -echo "$as_me: error: either specify a valid zlib installation with --with-zlib=DIR or disable zlib usage with --without-zlib" >&2;} - { (exit 1); exit 1; }; } + echo "" + echo "*********************************************************" + echo "* WARNING: Could not find a working zlib installation *" + echo "* If you need OOPSE to be able to deal with compressed *" + echo "* trajectory dump files be sure to specify a valid zlib *" + echo "* installation with --with-zlib=DIR *" + echo "* *" + echo "* OOPSE will still work without zlib installed. *" + echo "*********************************************************" + echo "" fi -fi + +fi +fi + # # Handle user hints # @@ -6192,44 +6148,37 @@ else withval="$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, $fftw_dir does not exist, checking usual places" >&5 + if test "$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 + 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) $ECHO_C" >&6 @@ -6307,7 +6256,7 @@ fi fftw_cv_libfftw3=no fi - if test "${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 @@ -6451,9 +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) $ECHO_C" >&6 @@ -6531,7 +6479,7 @@ fi fftw_cv_libfftw=no fi - if test "${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 @@ -6675,9 +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) $ECHO_C" >&6 @@ -6755,7 +6702,7 @@ fi fftw_cv_libdfftw=no fi - if test "${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 @@ -6899,74 +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:$LINENO: result: failed" >&5 + FFTW_INC_DIR= + FFTW_LIB_DIR= + FFTW_LIBS= + LDFLAGS="$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 + 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 @@ -11985,7 +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" @@ -13043,12 +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 @@ -13071,6 +13021,16 @@ echo $ECHO_N "checking whether mpif.h is usable... $EC echo "$as_me:$LINENO: checking whether mpif.h is usable" >&5 echo $ECHO_N "checking whether mpif.h is usable... $ECHO_C" >&6 + + +ac_ext=${FC_SRCEXT-f} +ac_compile='$FC -c $FCFLAGS $FCFLAGS_SRCEXT conftest.$ac_ext >&5' +ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $FCFLAGS_SRCEXT conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_fc_compiler_gnu + +ac_save_ext=$ac_ext +ac_ext=F90 +ac_save_FCFLAGS=$FCFLAGS have_mpif_h=0 rm -f conftest* cat >conftest.$ac_ext <&5 @@ -13188,14 +13156,15 @@ fi fi fi +$as_unset ac_cv_lib_mpich_MPI_Init if test x = x"$MPI_LIB"; then - echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 -echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 -if test "${ac_cv_lib_mpi_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="-lmpi $LIBS" +LIBS="-lpmpich -lmpich -lpmpich -lmpich $LIBS" cat >conftest.$ac_ext <<_ACEOF /* confdefs.h. */ _ACEOF @@ -13248,25 +13217,24 @@ if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 ac_status=$? echo "$as_me:$LINENO: \$? = $ac_status" >&5 (exit $ac_status); }; }; then - ac_cv_lib_mpi_MPI_Init=yes + ac_cv_lib_pmpich_MPI_Init=yes else echo "$as_me: failed program was:" >&5 sed 's/^/| /' conftest.$ac_ext >&5 -ac_cv_lib_mpi_MPI_Init=no +ac_cv_lib_pmpich_MPI_Init=no fi rm -f conftest.err conftest.$ac_objext \ conftest$ac_exeext conftest.$ac_ext LIBS=$ac_check_lib_save_LIBS fi -echo "$as_me:$LINENO: result: $ac_cv_lib_mpi_MPI_Init" >&5 -echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 -if test $ac_cv_lib_mpi_MPI_Init = yes; then - MPI_LIB="-lmpi" +echo "$as_me:$LINENO: result: $ac_cv_lib_pmpich_MPI_Init" >&5 +echo "${ECHO_T}$ac_cv_lib_pmpich_MPI_Init" >&6 +if test $ac_cv_lib_pmpich_MPI_Init = yes; then + MPI_LIB="-lpmpich -lmpich -lpmpich -lmpich" fi fi -$as_unset ac_cv_lib_mpi_MPI_Init if test x = x"$MPI_LIB"; then echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 @@ -13274,7 +13242,7 @@ else echo $ECHO_N "(cached) $ECHO_C" >&6 else ac_check_lib_save_LIBS=$LIBS -LIBS="-lmpi "-llam" $LIBS" +LIBS="-lmpi $LIBS" cat >conftest.$ac_ext <<_ACEOF /* confdefs.h. */ _ACEOF @@ -13341,19 +13309,19 @@ if test $ac_cv_lib_mpi_MPI_Init = yes; then echo "$as_me:$LINENO: result: $ac_cv_lib_mpi_MPI_Init" >&5 echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 if test $ac_cv_lib_mpi_MPI_Init = yes; then - MPI_LIB="-lmpi -llam" + MPI_LIB="-lmpi" fi fi -$as_unset ac_cv_lib_mpich_MPI_Init +$as_unset ac_cv_lib_mpi_MPI_Init if test x = x"$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 -lmpi" >&5 +echo $ECHO_N "checking for MPI_Init in -lmpi... $ECHO_C" >&6 +if test "${ac_cv_lib_mpi_MPI_Init+set}" = set; then echo $ECHO_N "(cached) $ECHO_C" >&6 else ac_check_lib_save_LIBS=$LIBS -LIBS="-lmpich "-lpmpich" $LIBS" +LIBS="-lmpi -llam $LIBS" cat >conftest.$ac_ext <<_ACEOF /* confdefs.h. */ _ACEOF @@ -13406,25 +13374,24 @@ if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 ac_status=$? echo "$as_me:$LINENO: \$? = $ac_status" >&5 (exit $ac_status); }; }; then - ac_cv_lib_mpich_MPI_Init=yes + ac_cv_lib_mpi_MPI_Init=yes else echo "$as_me: failed program was:" >&5 sed 's/^/| /' conftest.$ac_ext >&5 -ac_cv_lib_mpich_MPI_Init=no +ac_cv_lib_mpi_MPI_Init=no fi rm -f conftest.err conftest.$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: $ac_cv_lib_mpi_MPI_Init" >&5 +echo "${ECHO_T}$ac_cv_lib_mpi_MPI_Init" >&6 +if test $ac_cv_lib_mpi_MPI_Init = yes; then + MPI_LIB="-lmpi -llam" fi fi - $as_unset ac_cv_lib_mpi_MPI_Init if test x = x"$MPI_LIB"; then echo "$as_me:$LINENO: checking for MPI_Init in -lmpi" >&5 @@ -14139,7 +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 @@ -14673,6 +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" ;; @@ -14771,6 +14740,7 @@ s,@debug@,$debug,;t t s,@host_os@,$host_os,;t t s,@PROGNAME@,$PROGNAME,;t t s,@debug@,$debug,;t t +s,@USE_SINGLE_PRECISION@,$USE_SINGLE_PRECISION,;t t s,@CXX@,$CXX,;t t s,@CXXFLAGS@,$CXXFLAGS,;t t s,@LDFLAGS@,$LDFLAGS,;t t @@ -14808,6 +14778,9 @@ s,@F90_MODULE_NAMES@,$F90_MODULE_NAMES,;t t s,@MODDIRFLAG@,$MODDIRFLAG,;t t s,@F90MODINCSPEC@,$F90MODINCSPEC,;t t s,@F90_MODULE_NAMES@,$F90_MODULE_NAMES,;t t +s,@ZLIB_INC_DIR@,$ZLIB_INC_DIR,;t t +s,@ZLIB_LIB_DIR@,$ZLIB_LIB_DIR,;t t +s,@ZLIB@,$ZLIB,;t t s,@FFTW_INC_DIR@,$FFTW_INC_DIR,;t t s,@FFTW_LIB_DIR@,$FFTW_LIB_DIR,;t t s,@FFTW_LIBS@,$FFTW_LIBS,;t t @@ -15081,6 +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