scripts/GMXRC.bash.in

   1 # bash configuration file for Gromacs
   2 # First we remove old gromacs stuff from the paths
   3 # by selecting everything else.
   4 # This is not 100% necessary, but very useful when we
   5 # repeatedly switch between gmx versions in a shell.
   6
   7 # First remove gromacs part of ld_library_path
   8 tmppath=""
   9 for i in `echo $LD_LIBRARY_PATH | sed "s/:/ /g"`; do
  10   if test "$i" != "$GMXLDLIB"; then
  11     tmppath="${tmppath}${tmppath:+:}${i}"
  12   fi
  13 done
  14 LD_LIBRARY_PATH=$tmppath
  15
  16 # remove gromacs part of PKG_CONFIG_PATH
  17 tmppath=""
  18 for i in `echo $PKG_CONFIG_PATH | sed "s/:/ /g"`; do
  19   if test "$i" != "$GMXLDLIB/pkgconfig"; then
  20     tmppath="${tmppath}${tmppath:+:}${i}"
  21   fi
  22 done
  23 PKG_CONFIG_PATH=$tmppath
  24
  25 # remove gromacs part of path
  26 tmppath=""
  27 for i in `echo $PATH | sed "s/:/ /g"`; do
  28   if test "$i" != "$GMXBIN"; then
  29     tmppath="${tmppath}${tmppath:+:}${i}"
  30   fi
  31 done
  32 PATH=$tmppath
  33
  34 # and remove the gmx part of manpath
  35 tmppath=""
  36 for i in `echo $MANPATH | sed "s/:/ /g"`; do
  37   if test "$i" != "$GMXMAN"; then
  38     tmppath="${tmppath}${tmppath:+:}${i}"
  39   fi
  40 done
  41 MANPATH=$tmppath
  42
  43 ##########################################################
  44 # This is the real configuration part. We save the Gromacs
  45 # things in separate vars, so we can remove them later.
  46 # If you move gromacs, change the next four line.
  47 ##########################################################
  48 GMXBIN=@bindir@
  49 GMXLDLIB=@libdir@
  50 GMXMAN=@mandir@
  51 GMXDATA=@datadir@
  52
  53 LD_LIBRARY_PATH=${GMXLDLIB}${LD_LIBRARY_PATH:+:}${LD_LIBRARY_PATH}
  54 PKG_CONFIG_PATH=${GMXLDLIB}/pkgconfig${PKG_CONFIG_PATH:+:}${PKG_CONFIG_PATH}
  55 PATH=${GMXBIN}${PATH:+:}${PATH}
  56 #debian/ubuntu needs a : at the end
  57 MANPATH=${GMXMAN}:${MANPATH}
  58
  59 # export should be separate, so /bin/sh understands it
  60 export GMXBIN GMXLDLIB GMXMAN GMXDATA LD_LIBRARY_PATH PATH MANPATH PKG_CONFIG_PATH
  61
  62 # read bash completions if understand how to use them
  63 # and this shell supports extended globbing
  64 if (complete) > /dev/null 2>&1; then
  65   if (shopt -s extglob) > /dev/null 2>&1; then
  66     if [ -f $GMXBIN/completion.bash ]; then
  67       source $GMXBIN/completion.bash;
  68     fi
  69   fi
  70 fi
  71
  72