AC_INIT([tsscds], [2018], [emilio.nunez@usc.es],[tsscds-SOURCE]) AM_INIT_AUTOMAKE AC_CONFIG_SRCDIR([src/bbfs.f90]) AC_PREFIX_DEFAULT([$HOME/AC_PACKAGE_NAME-AC_PACKAGE_VERSION]) AC_PROG_AWK AC_PROG_LN_S AC_PROG_CC AC_PROG_FC([gfortran]) AC_PROG_F77([gfortran]) AM_PATH_PYTHON([2]) AC_MSG_CHECKING(for numpy python module) $PYTHON -c "import numpy;" 2>/dev/null if test $? == 0; then AC_MSG_RESULT([found]) else AC_MSG_ERROR([not found numpy]) fi AC_MSG_CHECKING(for scipy python module) $PYTHON -c "import scipy;" 2>/dev/null if test $? == 0; then AC_MSG_RESULT([found]) else AC_MSG_ERROR([not found scipy]) fi AC_CHECK_PROG(PARALLELS_CHECK,parallel,yes) if test x"$PARALLELS_CHECK" != x"yes" ; then AC_MSG_ERROR([Please install GNU Parallel package before proceeding.]) fi AC_CHECK_PROG(SQLITE_CHECK,sqlite3,yes) if test x"$SQLITE_CHECK" != x"yes" ; then AC_MSG_ERROR([Please install sqlite3 package before proceeding.]) fi AC_PATH_PROG(ZENITY, zenity, no) if test x"$ZENITY" = xno; then AC_MSG_ERROR([Please install zenity package before proceeding.]) fi AC_PATH_PROG(svnversioncommand, svnversion) if test "X$svnversioncommand" = "X" || test "`$svnversioncommand -n '.'`" = "Unversioned directory" || test "`$svnversioncommand -n '.'`" = "exported"; then AC_DEFINE_UNQUOTED(TSSCDS_BUILD, ["`cat share/tsscds_build`"], [repository svn version]) else AC_DEFINE_UNQUOTED(TSSCDS_BUILD, ["`svnversion -n`"], [repository svn version]) `svnversion -n > share/tsscds_build` fi AC_CONFIG_FILES([Makefile]) AC_OUTPUT([ src/Makefile \ src/HL/Makefile\ scripts/Makefile\ scripts/CATscripts/Makefile\ scripts/HLscripts/Makefile\ scripts/MOPAC_DEV/Makefile\ docs/Makefile\ modules/Makefile\ examples/Makefile \ share/Makefile \ share/CAT/Makefile]) AC_MSG_NOTICE([ +-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ 1) "Environment Modules" must be installed in this machine. Then, you may add the following to your .bash_profile: module use $prefix/modules 2) "Gaussian09" must be installed in this machine. It must be invoked as: g09output +-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ ])