--- trunk/OOPSE-3.0/configure 2004/09/24 04:16:43 1490 +++ trunk/OOPSE-3.0/configure 2004/10/06 21:22:43 1535 @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.59 for OOPSE 1.0. +# Generated by GNU Autoconf 2.59 for OOPSE 2.0. # # Report bugs to . # @@ -269,11 +269,11 @@ PACKAGE_VERSION='1.0' # Identity of this package. PACKAGE_NAME='OOPSE' PACKAGE_TARNAME='oopse' -PACKAGE_VERSION='1.0' -PACKAGE_STRING='OOPSE 1.0' +PACKAGE_VERSION='2.0' +PACKAGE_STRING='OOPSE 2.0' PACKAGE_BUGREPORT='gezelter@nd.edu' -ac_unique_file="src/oopse.cpp" +ac_unique_file="src/applications/oopse/oopse.cpp" ac_default_prefix="/usr/local" # Factoring default headers for most tests. ac_includes_default="\ @@ -312,7 +312,7 @@ ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKA # 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 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 CPP EGREP LIBOBJS 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 SPRNG_LIB_DIR SPRNG_INC_DIR SPRNG_LIB USE_SPRNG MKL_LIBDIR MKL_LIB MKL_INC HAVE_MKL BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS FFLAGS 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 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 F90_MODULE_NAMES CPP EGREP LIBOBJS 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 SPRNG_LIB_DIR SPRNG_INC_DIR SPRNG_LIB USE_SPRNG MKL_LIBDIR MKL_LIB MKL_INC HAVE_MKL BATEXT MKINSTALLDIRS OOPSE OOPSE_HOME SUBDIRS FFLAGS LTLIBOBJS' ac_subst_files='' # Initialize some variables set by options. @@ -797,7 +797,7 @@ if test "$ac_init_help" = "long"; then # Omit some internal or obsolete options to make the list less imposing. # This message is too long to be a string in the A/UX 3.1 sh. cat <<_ACEOF -\`configure' configures OOPSE 1.0 to adapt to many kinds of systems. +\`configure' configures OOPSE 2.0 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -858,7 +858,7 @@ if test -n "$ac_init_help"; then if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of OOPSE 1.0:";; + short | recursive ) echo "Configuration of OOPSE 2.0:";; esac cat <<\_ACEOF @@ -988,7 +988,7 @@ OOPSE configure 1.0 test -n "$ac_init_help" && exit 0 if $ac_init_version; then cat <<\_ACEOF -OOPSE configure 1.0 +OOPSE configure 2.0 generated by GNU Autoconf 2.59 Copyright (C) 2003 Free Software Foundation, Inc. @@ -1002,7 +1002,7 @@ It was created by OOPSE $as_me 1.0, which was This file contains any messages produced by compilers while running configure, to aid debugging if configure makes a mistake. -It was created by OOPSE $as_me 1.0, which was +It was created by OOPSE $as_me 2.0, which was generated by GNU Autoconf 2.59. Invocation command line was $ $0 $@ @@ -1814,6 +1814,12 @@ ac_configure="$SHELL $ac_aux_dir/configure" # This sho # argument is not supplied, it defaults to NAME. # AC_F95_FUNC +# AC_F90_MODULE_NAMES +# ------------------- +# +# Figure out how the Fortran 90 compiler constructs module file names +# + # AC_F90_MODULE_NAMES @@ -1868,6 +1874,8 @@ ac_configure="$SHELL $ac_aux_dir/configure" # This sho + + # set program name PROGNAME="oopse" @@ -1944,6 +1952,8 @@ host_os=`echo $ac_cv_host | sed 's/^\([^-]*\)-\([^-]*\ host_cpu=`echo $ac_cv_host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\1/'` host_vendor=`echo $ac_cv_host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\2/'` host_os=`echo $ac_cv_host | sed 's/^\([^-]*\)-\([^-]*\)-\(.*\)$/\3/'` + + @@ -3525,7 +3535,7 @@ F90FLAGS="$F90FLAGS $ac_verb" ac_save_F90FLAGS=$F90FLAGS F90FLAGS="$F90FLAGS $ac_verb" -(eval echo $as_me:3528: \"$ac_link\") >&5 +(eval echo $as_me:3538: \"$ac_link\") >&5 ac_f90_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f90_v_output" >&5 F90FLAGS=$ac_save_F90FLAGS @@ -3602,7 +3612,7 @@ F90FLAGS="$F90FLAGS $ac_cv_prog_f90_v" ac_save_F90FLAGS=$F90FLAGS F90FLAGS="$F90FLAGS $ac_cv_prog_f90_v" -(eval echo $as_me:3605: \"$ac_link\") >&5 +(eval echo $as_me:3615: \"$ac_link\") >&5 ac_f90_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f90_v_output" >&5 F90FLAGS=$ac_save_F90FLAGS @@ -4197,9 +4207,236 @@ fi rm -f conftest* conf/conftest* conf/CONFTEST* CONFTEST* conf/mpimod* if test $madedir = 1 ; then rmdir conf ; fi +fi + + +echo "$as_me:$LINENO: checking for Fortran 90 module file names" >&5 +echo $ECHO_N "checking for Fortran 90 module file names... $ECHO_C" >&6 +if test "${ac_cv_f90_module_names+set}" = set; then + echo $ECHO_N "(cached) $ECHO_C" >&6 +else + ac_ext=f90 +ac_compile='$F90 -c $F90FLAGS conftest.$ac_ext >&5' +ac_link='$F90 -o conftest$ac_exeext $F90FLAGS $LD90FLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f90_compiler_gnu + +# carry out the test in a new directory, so that we don't miss anything +mkdir conftest +cd conftest +cat >conftest.$ac_ext <<_ACEOF +MODULE Bar +END MODULE Bar +_ACEOF +rm -f conftest.$ac_objext +if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5 + (eval $ac_compile) 2>conftest.er1 + ac_status=$? + 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_f90_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_objext' + { (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_f90_module_names= +ac_file_list=* +for ac_file in $ac_file_list; do + case $ac_file in + # don't care for original source and object files + conftest.$ac_ext | conftest.$ac_objext | conftest.err ) + : + ;; + # look for new files derived from the file name + *conftest*) + ac_pat=`echo $ac_file | sed s/conftest/%FILE%/` + ac_exists=false + for ac_i in $ac_cv_f90_module_names; do + if test x"$ac_pat" = x"$ac_i"; then + ac_exists=true + break + fi + done + + if test x"$ac_exists" = xtrue; then + : +else + ac_cv_f90_module_names="$ac_cv_f90_module_names $ac_pat" fi + ;; + # look for new files derived from the module name, + # with different case translation schemes + *Bar*) + ac_pat=`echo $ac_file | sed s/Bar/%Module%/` + ac_exists=false + for ac_i in $ac_cv_f90_module_names; do + if test x"$ac_pat" = x"$ac_i"; then + ac_exists=true + break + fi + done + if test x"$ac_exists" = xtrue; then + : +else + ac_cv_f90_module_names="$ac_cv_f90_module_names $ac_pat" +fi + + ;; + *bar*) + ac_pat=`echo $ac_file | sed s/bar/%module%/` + ac_exists=false + for ac_i in $ac_cv_f90_module_names; do + if test x"$ac_pat" = x"$ac_i"; then + ac_exists=true + break + fi + done + + if test x"$ac_exists" = xtrue; then + : +else + ac_cv_f90_module_names="$ac_cv_f90_module_names $ac_pat" +fi + + ;; + *BAR*) + ac_pat=`echo $ac_file | sed s/BAR/%MODULE%/` + ac_exists=false + for ac_i in $ac_cv_f90_module_names; do + if test x"$ac_pat" = x"$ac_i"; then + ac_exists=true + break + fi + done + + if test x"$ac_exists" = xtrue; then + : +else + ac_cv_f90_module_names="$ac_cv_f90_module_names $ac_pat" +fi + + ;; + # Other files - we have no idea how they are generated + *) + { echo "$as_me:$LINENO: WARNING: Bogus file found: $ac_file" >&5 +echo "$as_me: WARNING: Bogus file found: $ac_file" >&2;} + ;; + esac +done +if test "x$ac_cv_f90_module_names" = "x"; then + { echo "$as_me:$LINENO: WARNING: Couldn't determine module file names" >&5 +echo "$as_me: WARNING: Couldn't determine module file names" >&2;} +fi + +else + echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +ac_cv_f90_module_names= +{ echo "$as_me:$LINENO: WARNING: Couldn't determine module file names" >&5 +echo "$as_me: WARNING: Couldn't determine module file names" >&2;} +fi +rm -f conftest.err conftest.$ac_objext conftest.$ac_ext +cd .. +# cleanup +rm -rf conftest +ac_ext=f90 +ac_compile='$F90 -c $F90FLAGS conftest.$ac_ext >&5' +ac_link='$F90 -o conftest$ac_exeext $F90FLAGS $LD90FLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_f90_compiler_gnu + +fi +echo "$as_me:$LINENO: result: $ac_cv_f90_module_names" >&5 +echo "${ECHO_T}$ac_cv_f90_module_names" >&6 # AC_CACHE_CHECK + +# We now generate a shell script that will help us to figure out the correct +# module file names, using the value of ac_cv_f90_module_names + +echo "Generating shell script modnam" + +cat > scripts/modnam << EOF +#! /bin/sh +# This script is auto-generated by configure +# +usage="\\ +Usage: \$0 [FILES] + +[FILES] are Fortran 90 source files. +The output is a list of module file names that the Fortran 90 compiler +generates when compiling [FILES]." + +list= +empty= + +if test \$# -eq 0; then + echo "\$usage"; exit 0 +fi + +while test \$# != 0; do + + file=\$1 + shift + +# strip suffix + base=\`echo \$file | sed 's/[.][^.]*$//'\` + + test ! -f \$file && continue + +# Look for module definitions and transform them to upper / lower case + mods=\`cat \$file | sed '/^ *[mM][oO][dD][uU][lL][eE]/!d;s/^ *[mM][oO][dD][uU][lL][eE] *\([A-Za-z_][A-Za-z0-9_]*\).*\$/\1/'\` + upper=\`echo \$mods | tr a-z A-Z\` + lower=\`echo \$mods | tr A-Z a-z\` + +# Here, the patterns for generating module file names were inserted by configure + for trans in $ac_cv_f90_module_names; do + + pat=\`echo \$trans | sed 's/.*\(%.*%\).*/\1/'\` + var=empty + case \$pat in + %MODULE%) + var=upper ;; + %Module%) + var=mods ;; + %module%) + var=lower ;; + %FILE%) + test -n "\$mods" && var=base ;; + esac + new=\`eval '(for i in \$'\$var '; do echo \$trans | sed s/\$pat/\$i/; done)'\` + list="\$list \$new" + done +done + +echo \$list +# end of configure-generated script +EOF +chmod 755 scripts/modnam + +pat=`echo $ac_cv_f90_module_names | sed 's/.*\(%.*%\).*/\1/'` +F90_MODULE_NAMES=empty +case $pat in + %MODULE%) + F90_MODULE_NAMES=UPPER ;; + %Module%) + F90_MODULE_NAMES=Mixed ;; + %module%) + F90_MODULE_NAMES=lower ;; + *) + F90_MODULE_NAMES=unknown ;; +esac + ac_ext=c ac_cpp='$CPP $CPPFLAGS' ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' @@ -7537,8 +7774,6 @@ SUBDIRS="libBASS libmdtools src forceFields samples ut MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" -SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder third-party " - CFLAGS=${CFLAGS-""} CXXFLAGS=${CXXFLAGS-""} CPPFLAGS=${CPPFLAGS-""} @@ -7572,9 +7807,10 @@ esac - ac_config_headers="$ac_config_headers libBASS/config.h libmdtools/config.h" - ac_config_files="$ac_config_files Makefile libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile third-party/Makefile samples/alkane/Makefile samples/argon/Makefile samples/lipid/Makefile samples/minimizer/Makefile samples/metals/Makefile samples/water/Makefile samples/water/dimer/Makefile samples/water/spce/Makefile samples/water/ssd/Makefile samples/water/ssde/Makefile samples/water/tip4p/Makefile samples/water/tip3p_ice/Makefile samples/zcons/Makefile" + ac_config_headers="$ac_config_headers src/config.h" + + ac_config_files="$ac_config_files make/Makefile" cat >confcache <<\_ACEOF @@ -7939,7 +8175,7 @@ This file was extended by OOPSE $as_me 1.0, which was } >&5 cat >&5 <<_CSEOF -This file was extended by OOPSE $as_me 1.0, which was +This file was extended by OOPSE $as_me 2.0, which was generated by GNU Autoconf 2.59. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -8002,7 +8238,7 @@ OOPSE config.status 1.0 cat >>$CONFIG_STATUS <<_ACEOF ac_cs_version="\\ -OOPSE config.status 1.0 +OOPSE config.status 2.0 configured by $0, generated by GNU Autoconf 2.59, with options \\"`echo "$ac_configure_args" | sed 's/[\\""\`\$]/\\\\&/g'`\\" @@ -8105,31 +8341,9 @@ do do case "$ac_config_target" in # Handling of arguments. - "Makefile" ) CONFIG_FILES="$CONFIG_FILES Makefile" ;; - "libBASS/Makefile" ) CONFIG_FILES="$CONFIG_FILES libBASS/Makefile" ;; - "libmdtools/Makefile" ) CONFIG_FILES="$CONFIG_FILES libmdtools/Makefile" ;; - "src/Makefile" ) CONFIG_FILES="$CONFIG_FILES src/Makefile" ;; - "utils/Makefile" ) CONFIG_FILES="$CONFIG_FILES utils/Makefile" ;; - "utils/sysbuilder/Makefile" ) CONFIG_FILES="$CONFIG_FILES utils/sysbuilder/Makefile" ;; - "forceFields/Makefile" ) CONFIG_FILES="$CONFIG_FILES forceFields/Makefile" ;; - "samples/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/Makefile" ;; - "third-party/Makefile" ) CONFIG_FILES="$CONFIG_FILES third-party/Makefile" ;; - "samples/alkane/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/alkane/Makefile" ;; - "samples/argon/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/argon/Makefile" ;; - "samples/lipid/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/lipid/Makefile" ;; - "samples/minimizer/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/minimizer/Makefile" ;; - "samples/metals/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/metals/Makefile" ;; - "samples/water/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/Makefile" ;; - "samples/water/dimer/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/dimer/Makefile" ;; - "samples/water/spce/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/spce/Makefile" ;; - "samples/water/ssd/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/ssd/Makefile" ;; - "samples/water/ssde/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/ssde/Makefile" ;; - "samples/water/tip4p/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/tip4p/Makefile" ;; - "samples/water/tip3p_ice/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/water/tip3p_ice/Makefile" ;; - "samples/zcons/Makefile" ) CONFIG_FILES="$CONFIG_FILES samples/zcons/Makefile" ;; + "make/Makefile" ) CONFIG_FILES="$CONFIG_FILES make/Makefile" ;; "utils/getopt.h" ) CONFIG_LINKS="$CONFIG_LINKS utils/getopt.h:utils/gnugetopt.h" ;; - "libBASS/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libBASS/config.h" ;; - "libmdtools/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS libmdtools/config.h" ;; + "src/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS src/config.h" ;; *) { { echo "$as_me:$LINENO: error: invalid argument: $ac_config_target" >&5 echo "$as_me: error: invalid argument: $ac_config_target" >&2;} { (exit 1); exit 1; }; };; @@ -8249,6 +8463,7 @@ s,@CPP@,$CPP,;t t s,@F90_WORK_FILES_ARG@,$F90_WORK_FILES_ARG,;t t s,@MODDIRFLAG@,$MODDIRFLAG,;t t s,@F90MODINCSPEC@,$F90MODINCSPEC,;t t +s,@F90_MODULE_NAMES@,$F90_MODULE_NAMES,;t t s,@CPP@,$CPP,;t t s,@EGREP@,$EGREP,;t t s,@LIBOBJS@,$LIBOBJS,;t t