| 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 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' | 
| 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 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 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' | 
| 316 |  | ac_subst_files='' | 
| 317 |  |  | 
| 318 |  | # Initialize some variables set by options. | 
| 871 |  | --enable-FEATURE[=ARG]  include FEATURE [ARG=yes] | 
| 872 |  | --enable-oopse-home=DIR      define oopse home dir PREFIX/oopse | 
| 873 |  | --enable-debug          Compile OOPSE in debug mode | 
| 874 | + | --enable-single         compile OOPSE in single precision | 
| 875 | + | --enable-float          synonym for --enable-single | 
| 876 |  | --enable-doxygen        enable documentation generation with doxygen (auto) | 
| 877 |  | --enable-dot            use 'dot' to generate graphs in doxygen (auto) | 
| 878 |  | --enable-html-docs      enable HTML generation with doxygen (yes) | 
| 883 |  | --without-PACKAGE       do not use PACKAGE (same as --with-PACKAGE=no) | 
| 884 |  | --with-perl-shebang     override what perl thinks is the way for the kernel | 
| 885 |  | to start it (seldom needed) | 
| 886 | < | --with-zlib=DIR root directory path of zlib installation defaults to | 
| 887 | < | /usr/local or /usr if not found in /usr/local | 
| 886 | < | --without-zlib to disable zlib usage completely | 
| 886 | > | --with-zlib=DIR         root directory path of zlib installation (defaults | 
| 887 | > | to /usr/local or /usr if not found in /usr/local) | 
| 888 |  | --with-fftw=DIR         root directory path of fftw installation (defaults | 
| 889 |  | to /usr/local or /usr if not found in /usr/local) | 
| 890 |  | --with-mpi=<prefix>     compile with MPI installed in <prefix> [default=no] | 
| 1432 |  |  | 
| 1433 |  |  | 
| 1434 |  |  | 
| 1435 | + |  | 
| 1436 |  | # AC_F90_MODULE_NAMES | 
| 1437 |  | # ------------------- | 
| 1438 |  | # | 
| 1625 |  | msg="$msg, debug mode" | 
| 1626 |  | fi | 
| 1627 |  |  | 
| 1628 | + |  | 
| 1629 | + | # Check whether --enable-single or --disable-single was given. | 
| 1630 | + | if test "${enable_single+set}" = set; then | 
| 1631 | + | enableval="$enable_single" | 
| 1632 | + | ok=$enableval | 
| 1633 | + | else | 
| 1634 | + | ok=no | 
| 1635 | + | fi; | 
| 1636 | + | # Check whether --enable-float or --disable-float was given. | 
| 1637 | + | if test "${enable_float+set}" = set; then | 
| 1638 | + | enableval="$enable_float" | 
| 1639 | + | ok=$enableval | 
| 1640 | + | fi; | 
| 1641 | + | if test "$ok" = "yes"; then | 
| 1642 |  |  | 
| 1643 | + | cat >>confdefs.h <<\_ACEOF | 
| 1644 | + | #define SINGLE_PRECISION 1 | 
| 1645 | + | _ACEOF | 
| 1646 | + |  | 
| 1647 | + | PRECISION=s | 
| 1648 | + | else | 
| 1649 | + | PRECISION=d | 
| 1650 | + | fi | 
| 1651 | + |  | 
| 1652 |  | # Checks for programs. | 
| 1653 |  | ac_ext=cc | 
| 1654 |  | ac_cpp='$CXXCPP $CPPFLAGS' | 
| 2810 |  |  | 
| 2811 |  |  | 
| 2812 |  | # Provide some information about the compiler. | 
| 2813 | < | echo "$as_me:2788:" \ | 
| 2813 | > | echo "$as_me:2813:" \ | 
| 2814 |  | "checking for Fortran compiler version" >&5 | 
| 2815 |  | ac_compiler=`set X $ac_compile; echo $2` | 
| 2816 |  | { (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5 | 
| 4058 |  | # flags. | 
| 4059 |  | ac_save_FFLAGS=$FCFLAGS | 
| 4060 |  | FCFLAGS="$FCFLAGS $ac_verb" | 
| 4061 | < | (eval echo $as_me:4036: \"$ac_link\") >&5 | 
| 4061 | > | (eval echo $as_me:4061: \"$ac_link\") >&5 | 
| 4062 |  | ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` | 
| 4063 |  | echo "$ac_fc_v_output" >&5 | 
| 4064 |  | FCFLAGS=$ac_save_FFLAGS | 
| 4136 |  | # flags. | 
| 4137 |  | ac_save_FFLAGS=$FCFLAGS | 
| 4138 |  | FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v" | 
| 4139 | < | (eval echo $as_me:4114: \"$ac_link\") >&5 | 
| 4139 | > | (eval echo $as_me:4139: \"$ac_link\") >&5 | 
| 4140 |  | ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` | 
| 4141 |  | echo "$ac_fc_v_output" >&5 | 
| 4142 |  | FCFLAGS=$ac_save_FFLAGS | 
| 4872 |  | # flags. | 
| 4873 |  | ac_save_FFLAGS=$FCFLAGS | 
| 4874 |  | FCFLAGS="$FCFLAGS $ac_verb" | 
| 4875 | < | (eval echo $as_me:4850: \"$ac_link\") >&5 | 
| 4875 | > | (eval echo $as_me:4875: \"$ac_link\") >&5 | 
| 4876 |  | ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` | 
| 4877 |  | echo "$ac_fc_v_output" >&5 | 
| 4878 |  | FCFLAGS=$ac_save_FFLAGS | 
| 4950 |  | # flags. | 
| 4951 |  | ac_save_FFLAGS=$FCFLAGS | 
| 4952 |  | FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v" | 
| 4953 | < | (eval echo $as_me:4928: \"$ac_link\") >&5 | 
| 4953 | > | (eval echo $as_me:4953: \"$ac_link\") >&5 | 
| 4954 |  | ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` | 
| 4955 |  | echo "$ac_fc_v_output" >&5 | 
| 4956 |  | FCFLAGS=$ac_save_FFLAGS | 
| 5827 |  | # | 
| 5828 |  | # Handle user hints | 
| 5829 |  | # | 
| 5805 | – | echo "$as_me:$LINENO: checking if zlib is wanted" >&5 | 
| 5806 | – | echo $ECHO_N "checking if zlib is wanted... $ECHO_C" >&6 | 
| 5830 |  |  | 
| 5831 |  | # Check whether --with-zlib or --without-zlib was given. | 
| 5832 |  | if test "${with_zlib+set}" = set; then | 
| 5833 |  | withval="$with_zlib" | 
| 5834 | < | if test "$withval" != no ; then | 
| 5835 | < | echo "$as_me:$LINENO: result: yes" >&5 | 
| 5836 | < | echo "${ECHO_T}yes" >&6 | 
| 5837 | < | if test -d "$withval" | 
| 5834 | > | zlib_dir="$withval" | 
| 5835 | > | else | 
| 5836 | > | zlib_dir="not_set" | 
| 5837 | > | fi; | 
| 5838 | > | if test "$zlib_dir" != "no"; then | 
| 5839 | > |  | 
| 5840 | > | if test "$zlib_dir" != "not_set" ; then | 
| 5841 | > | if test -d "$zlib_dir" | 
| 5842 |  | then | 
| 5843 | < | ZLIB_HOME="$withval" | 
| 5843 | > | ZLIB_HOME="$zlib_dir" | 
| 5844 |  | else | 
| 5845 | < | { echo "$as_me:$LINENO: WARNING: Sorry, $withval does not exist, checking usual places" >&5 | 
| 5846 | < | echo "$as_me: WARNING: Sorry, $withval does not exist, checking usual places" >&2;} | 
| 5845 | > | { echo "$as_me:$LINENO: WARNING: Sorry, $zlib_dir does not exist, checking usual places" >&5 | 
| 5846 | > | echo "$as_me: WARNING: Sorry, $zlib_dir does not exist, checking usual places" >&2;} | 
| 5847 |  | fi | 
| 5821 | – | else | 
| 5822 | – | echo "$as_me:$LINENO: result: no" >&5 | 
| 5823 | – | echo "${ECHO_T}no" >&6 | 
| 5848 |  | fi | 
| 5825 | – | fi; | 
| 5849 |  |  | 
| 5850 |  | ZLIB_HOME=/usr/local | 
| 5851 |  | if test ! -f "${ZLIB_HOME}/include/zlib.h" | 
| 6098 |  | ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' | 
| 6099 |  | ac_compiler_gnu=$ac_cv_c_compiler_gnu | 
| 6100 |  |  | 
| 6078 | – | if test "$zlib_cv_libz" = "yes" -a "$zlib_cv_zlib_h" = "yes" | 
| 6079 | – | then | 
| 6080 | – | # | 
| 6081 | – | # If both library and header were found, use them | 
| 6082 | – | # | 
| 6101 |  |  | 
| 6102 | < | echo "$as_me:$LINENO: checking for inflateEnd in -lz" >&5 | 
| 6103 | < | echo $ECHO_N "checking for inflateEnd in -lz... $ECHO_C" >&6 | 
| 6104 | < | if test "${ac_cv_lib_z_inflateEnd+set}" = set; then | 
| 6105 | < | echo $ECHO_N "(cached) $ECHO_C" >&6 | 
| 6088 | < | else | 
| 6089 | < | ac_check_lib_save_LIBS=$LIBS | 
| 6090 | < | LIBS="-lz  $LIBS" | 
| 6091 | < | cat >conftest.$ac_ext <<_ACEOF | 
| 6092 | < | /* confdefs.h.  */ | 
| 6102 | > | if test "$zlib_cv_libz" = "yes" -a "$zlib_cv_zlib_h" = "yes"; then | 
| 6103 | > |  | 
| 6104 | > | cat >>confdefs.h <<\_ACEOF | 
| 6105 | > | #define HAVE_ZLIB_H 1 | 
| 6106 |  | _ACEOF | 
| 6094 | – | cat confdefs.h >>conftest.$ac_ext | 
| 6095 | – | cat >>conftest.$ac_ext <<_ACEOF | 
| 6096 | – | /* end confdefs.h.  */ | 
| 6107 |  |  | 
| 6108 | < | /* Override any gcc2 internal prototype to avoid an error.  */ | 
| 6109 | < | #ifdef __cplusplus | 
| 6100 | < | extern "C" | 
| 6101 | < | #endif | 
| 6102 | < | /* We use char because int might match the return type of a gcc2 | 
| 6103 | < | builtin and then its argument prototype would still apply.  */ | 
| 6104 | < | char inflateEnd (); | 
| 6105 | < | #ifdef FC_DUMMY_MAIN | 
| 6106 | < | #ifndef FC_DUMMY_MAIN_EQ_F77 | 
| 6107 | < | #  ifdef __cplusplus | 
| 6108 | < | extern "C" | 
| 6109 | < | #  endif | 
| 6110 | < | int FC_DUMMY_MAIN() { return 1; } | 
| 6111 | < | #endif | 
| 6112 | < | #endif | 
| 6113 | < | int | 
| 6114 | < | main () | 
| 6115 | < | { | 
| 6116 | < | inflateEnd (); | 
| 6117 | < | ; | 
| 6118 | < | return 0; | 
| 6119 | < | } | 
| 6120 | < | _ACEOF | 
| 6121 | < | rm -f conftest.$ac_objext conftest$ac_exeext | 
| 6122 | < | if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5 | 
| 6123 | < | (eval $ac_link) 2>conftest.er1 | 
| 6124 | < | ac_status=$? | 
| 6125 | < | grep -v '^ *+' conftest.er1 >conftest.err | 
| 6126 | < | rm -f conftest.er1 | 
| 6127 | < | cat conftest.err >&5 | 
| 6128 | < | echo "$as_me:$LINENO: \$? = $ac_status" >&5 | 
| 6129 | < | (exit $ac_status); } && | 
| 6130 | < | { ac_try='test -z "$ac_c_werror_flag" | 
| 6131 | < | || test ! -s conftest.err' | 
| 6132 | < | { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 | 
| 6133 | < | (eval $ac_try) 2>&5 | 
| 6134 | < | ac_status=$? | 
| 6135 | < | echo "$as_me:$LINENO: \$? = $ac_status" >&5 | 
| 6136 | < | (exit $ac_status); }; } && | 
| 6137 | < | { ac_try='test -s conftest$ac_exeext' | 
| 6138 | < | { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5 | 
| 6139 | < | (eval $ac_try) 2>&5 | 
| 6140 | < | ac_status=$? | 
| 6141 | < | echo "$as_me:$LINENO: \$? = $ac_status" >&5 | 
| 6142 | < | (exit $ac_status); }; }; then | 
| 6143 | < | ac_cv_lib_z_inflateEnd=yes | 
| 6144 | < | else | 
| 6145 | < | echo "$as_me: failed program was:" >&5 | 
| 6146 | < | sed 's/^/| /' conftest.$ac_ext >&5 | 
| 6147 | < |  | 
| 6148 | < | ac_cv_lib_z_inflateEnd=no | 
| 6149 | < | fi | 
| 6150 | < | rm -f conftest.err conftest.$ac_objext \ | 
| 6151 | < | conftest$ac_exeext conftest.$ac_ext | 
| 6152 | < | LIBS=$ac_check_lib_save_LIBS | 
| 6153 | < | fi | 
| 6154 | < | echo "$as_me:$LINENO: result: $ac_cv_lib_z_inflateEnd" >&5 | 
| 6155 | < | echo "${ECHO_T}$ac_cv_lib_z_inflateEnd" >&6 | 
| 6156 | < | if test $ac_cv_lib_z_inflateEnd = yes; then | 
| 6157 | < | cat >>confdefs.h <<_ACEOF | 
| 6108 | > |  | 
| 6109 | > | cat >>confdefs.h <<\_ACEOF | 
| 6110 |  | #define HAVE_LIBZ 1 | 
| 6111 |  | _ACEOF | 
| 6112 |  |  | 
| 6113 | < | LIBS="-lz $LIBS" | 
| 6114 | < |  | 
| 6115 | < | fi | 
| 6164 | < |  | 
| 6165 | < | echo "$as_me:$LINENO: checking zlib in ${ZLIB_HOME}" >&5 | 
| 6166 | < | echo $ECHO_N "checking zlib in ${ZLIB_HOME}... $ECHO_C" >&6 | 
| 6167 | < | echo "$as_me:$LINENO: result: ok" >&5 | 
| 6168 | < | echo "${ECHO_T}ok" >&6 | 
| 6113 | > | ZLIB_INC_DIR="${ZLIB_HOME}/include" | 
| 6114 | > | ZLIB_LIB_DIR="${ZLIB_HOME}/lib" | 
| 6115 | > | ZLIB="-lz" | 
| 6116 |  | else | 
| 6170 | – | # | 
| 6171 | – | # If either header or library was not found, revert and bomb | 
| 6172 | – | # | 
| 6117 |  | echo "$as_me:$LINENO: checking zlib in ${ZLIB_HOME}" >&5 | 
| 6118 |  | echo $ECHO_N "checking zlib in ${ZLIB_HOME}... $ECHO_C" >&6 | 
| 6119 | + | ZLIB_INC_DIR= | 
| 6120 | + | ZLIB_LIB_DIR= | 
| 6121 | + | ZLIB= | 
| 6122 |  | LDFLAGS="$ZLIB_OLD_LDFLAGS" | 
| 6123 |  | CPPFLAGS="$ZLIB_OLD_CPPFLAGS" | 
| 6124 |  | echo "$as_me:$LINENO: result: failed" >&5 | 
| 6125 |  | echo "${ECHO_T}failed" >&6 | 
| 6126 | < | { { echo "$as_me:$LINENO: error: either specify a valid zlib installation with --with-zlib=DIR or disable zlib usage with --without-zlib" >&5 | 
| 6127 | < | echo "$as_me: error: either specify a valid zlib installation with --with-zlib=DIR or disable zlib usage with --without-zlib" >&2;} | 
| 6128 | < | { (exit 1); exit 1; }; } | 
| 6126 | > | echo "" | 
| 6127 | > | echo "*********************************************************" | 
| 6128 | > | echo "* WARNING: Could not find a working zlib installation   *" | 
| 6129 | > | echo "* If you need OOPSE to be able to deal with compressed  *" | 
| 6130 | > | echo "* trajectory dump files be sure to specify a valid zlib *" | 
| 6131 | > | echo "* installation with --with-zlib=DIR                     *" | 
| 6132 | > | echo "*                                                       *" | 
| 6133 | > | echo "* OOPSE will still work without zlib installed.         *" | 
| 6134 | > | echo "*********************************************************" | 
| 6135 | > | echo "" | 
| 6136 |  | fi | 
| 6137 | < | fi | 
| 6137 | > |  | 
| 6138 | > |  | 
| 6139 |  |  | 
| 6140 | + | fi | 
| 6141 | + | fi | 
| 6142 |  |  | 
| 6143 |  | # | 
| 6144 |  | # Handle user hints | 
| 14765 |  | s,@MODDIRFLAG@,$MODDIRFLAG,;t t | 
| 14766 |  | s,@F90MODINCSPEC@,$F90MODINCSPEC,;t t | 
| 14767 |  | s,@F90_MODULE_NAMES@,$F90_MODULE_NAMES,;t t | 
| 14768 | + | s,@ZLIB_INC_DIR@,$ZLIB_INC_DIR,;t t | 
| 14769 | + | s,@ZLIB_LIB_DIR@,$ZLIB_LIB_DIR,;t t | 
| 14770 | + | s,@ZLIB@,$ZLIB,;t t | 
| 14771 |  | s,@FFTW_INC_DIR@,$FFTW_INC_DIR,;t t | 
| 14772 |  | s,@FFTW_LIB_DIR@,$FFTW_LIB_DIR,;t t | 
| 14773 |  | s,@FFTW_LIBS@,$FFTW_LIBS,;t t |