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|
#!/bin/bash
#
# Installs Openbabel.
# Pass an Openbabel version string as first argument to install a specific version (blank for default).
# Author: Christoph Helma, Andreas Maunz.
#
if [ "$(id -u)" = "0" ]; then
echo "This script must be run as non-root." 1>&2
exit 1
fi
# Utils
WGET="`which wget`"
if [ ! -e "$WGET" ]; then
echo "'wget' missing. Install 'wget' first. Aborting..."
exit 1
fi
# Pkg
VER="2.2.3"
OBVER="openbabel-$VER"
PREFIX="$HOME/$OBVER"
if [ -n "$1" ]; then
PREFIX="$1"
fi
PREFIX_BINDINGS="$HOME/openbabel-ruby-install"
# Dest
OB_CONF=$HOME/.bash_OB_ot
RUBY_CONF=$HOME/.bash_ruby_ot
mkdir "$PREFIX" >/dev/null 2>&1
if [ ! -d "$PREFIX" ]; then
echo "Install directory '$PREFIX' is not available! Aborting..."
exit 1
else
if ! rmdir "$PREFIX" >/dev/null 2>&1; then # if not empty this will fail
echo "Install directory '$PREFIX' is not empty. Skipping Openbabel installation..."
OB_DONE=true
fi
fi
DIR="`pwd`"
if [ ! $OB_DONE ]; then
echo "This installs Openbabel Enterprise edition."
echo "Your installation directory is '$PREFIX'."
echo "A configuration file is created and you are given the option to have it included in your '~.bashrc'."
echo "Press <Return> to continue, or <Ctrl+C> to abort."
read
cd /tmp
if ! $WGET -O - "http://downloads.sourceforge.net/project/openbabel/openbabel/$VER/$OBVER.tar.gz?use_mirror=kent" | tar zxv >/dev/null 2>&1; then
echo "Download failed! Aborting..."
exit 1
fi
cd "/tmp/$OBVER"
./configure --prefix="$PREFIX"
make
make install
fi
echo
echo "Openbabel installation done."
echo "Next ruby bindings should be installed."
echo "Press <Return> to continue, or <Ctrl+C> to abort."
echo -n "Enter 's' to skip this step: "
read RBB_SKIP
if [ "$RBB_SKIP" != "s" ]; then
mkdir "$PREFIX_BINDINGS">/dev/null 2>&1
if [ ! -d "$PREFIX_BINDINGS" ]; then
echo "Install directory '$PREFIX_BINDINGS' is not available! Aborting..."
exit 1
else
if [ "`ls $PREFIX_BINDINGS | wc -l`" -gt 0 ]; then
echo "Install directory '$PREFIX_BINDINGS' is not empty. Skipping Openbabel Binding installation..."
OB_DONE=true
fi
fi
if ! $OB_DONE ; then
cd scripts/ruby/
ruby extconf.rb --with-openbabel-include="$PREFIX/include/openbabel-2.0"
if make ; then
cp openbabel.so $PREFIX_BINDINGS
else
echo
echo "Make failed! Aborting..."
exit 1
fi
fi
fi
cd "$DIR"
echo
echo "Preparing Openbabel..."
if [ ! -f $OB_CONF ]; then
echo "PATH=$PREFIX/bin:\$PATH" >> "$OB_CONF"
echo "if [ -z \"$LD_LIBRARY_PATH\" ]; then \n \
export LD_LIBRARY_PATH=\"$BABEL_INST/lib\" \n \
else \n\
export LD_LIBRARY_PATH=\"$BABEL_INST/lib:$LD_LIBRARY_PATH\" \n\
fi \n" >> "$OB_CONF"
echo "if [ -z \"$BABEL_LIBDIR\" ]; then \n \
export BABEL_LIBDIR=\"$BABEL_INST/lib/openbabel/2.3.0\" \n \
fi \n" >> "$OB_CONF"
echo "if [ -z \"$BABEL_DATADIR\" ]; then \n\
export BABEL_DATADIR=\"$BABEL_INST/share/openbabel/2.3.0\" \n\
fi \n" >> "$OB_CONF"
echo "if [ -z \"$RUBYLIB\" ]; then \n\
export RUBYLIB=\"$PREFIX_BINDINGS\" \n\
fi \n" >> "$RUBY_CONF"
echo "Openbabel configuration has been stored in '$OB_CONF'."
echo -n "Decide if Openbabel configuration should be linked to your .bashrc ('y/n'): "
read ANSWER_OB_CONF
if [ $ANSWER_OB_CONF = "y" ]; then
echo "source \"$OB_CONF\"" >> $HOME/.bashrc
fi
else
echo "It seems Openbabel is already configured ('$OB_CONF' exists)."
fi
echo
echo "Openbabel Installation finished."
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