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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
source ./config.sh
source ./utils.sh
LOG="/tmp/`basename $0`-log.txt"
echo "This installs Openbabel."
echo "Your installation directory is '$OB_DEST'."
echo "A configuration file is created and you are given the option to have it included in your '~.bashrc'."
echo "Log file is '$LOG'."
echo "Press <Return> to continue, or <Ctrl+C> to abort."
read
DIR="`pwd`"
mkdir "$OB_DEST" >/dev/null 2>&1
if [ ! -d "$OB_DEST" ]; then
echo "Install directory '$OB_DEST' is not available! Aborting..."
exit 1
else
if ! rmdir "$OB_DEST" >/dev/null 2>&1; then # if not empty this will fail
echo "Install directory '$OB_DEST' is not empty. Skipping openbabel base installation..."
OB_DONE=true
fi
fi
if [ ! $OB_DONE ]; then
cd /tmp
URI="http://downloads.sourceforge.net/project/openbabel/openbabel/$OB_NUM_VER/$OB_VER.tar.gz?use_mirror=kent"
if ! $WGET -O - "$URI" 2>>$LOG | tar zxv >>$LOG 2>&1; then
printf "%25s%15s\n" "'Download'" "FAIL"
exit 1
fi
printf "%25s%15s\n" "'Download'" "DONE"
cd "/tmp/$OB_VER"
if ! ./configure --prefix="$OB_DEST" >>$LOG 2>&1; then
printf "%25s%15s\n" "'Configure'" "FAIL"
exit 1
fi
printf "%25s%15s\n" "'Configure'" "DONE"
if ! make >>$LOG 2>&1; then
printf "%25s%15s\n" "'Make'" "FAIL"
exit 1
fi
printf "%25s%15s\n" "'Make'" "DONE"
if ! make install >>$LOG 2>&1; then
printf "%25s%15s\n" "'Install'" "FAIL"
exit 1
fi
printf "%25s%15s\n" "'Install'" "DONE"
fi
OB_DONE=false
mkdir "$OB_DEST_BINDINGS">/dev/null 2>&1
if [ ! -d "$OB_DEST_BINDINGS" ]; then
echo "Install directory '$OB_DEST_BINDINGS' is not available! Aborting..."
exit 1
else
if [ "`ls $OB_DEST_BINDINGS | wc -l`" -gt 0 ]; then
echo "Install directory '$OB_DEST_BINDINGS' is not empty. Skipping Openbabel Binding installation..."
OB_DONE=true
fi
fi
if ! $OB_DONE ; then
cd "/tmp/$OB_VER/scripts/ruby/"
if ! ruby extconf.rb --with-openbabel-include="$OB_DEST/include/openbabel-2.0" >>$LOG 2>&1; then
printf "%25s%15s\n" "'Bindings: Code'" "FAIL"
exit 1
fi
printf "%25s%15s\n" "'Bindings: Code'" "DONE"
if ! make >>$LOG 2>&1; then
printf "%25s%15s\n" "'Bindings: Make'" "FAIL"
exit 1
fi
printf "%25s%15s\n" "'Bindings: Make'" "DONE"
if ! cp openbabel.so $OB_DEST_BINDINGS >>$LOG 2>&1; then
printf "%25s%15s\n" "'Bindings: Install'" "FAIL"
exit 1
fi
printf "%25s%15s\n" "'Bindings: Install'" "DONE"
fi
cd "$DIR"
echo
echo "Preparing Openbabel..."
if [ ! -f $OB_CONF ]; then
echo "if ! [[ \"\$PATH\" =~ \"$OB_DEST\" ]]; then export PATH=\"$OB_DEST/bin:\$PATH\"; fi" >> "$OB_CONF"
echo "if ! [[ \"\$LD_LIBRARY_PATH\" =~ \"$OB_DEST\" ]]; then export LD_LIBRARY_PATH=\"$OB_DEST/lib:\$LD_LIBRARY_PATH\"; fi" >> "$OB_CONF"
echo "if [ -z \"\$BABEL_LIBDIR\" ]; then export BABEL_LIBDIR=\"$OB_DEST/lib/openbabel/2.3.0\"; fi" >> "$OB_CONF"
echo "if [ -z \"\$BABEL_DATADIR\" ]; then export BABEL_DATADIR=\"$OB_DEST/share/openbabel/2.3.0\"; fi" >> "$OB_CONF"
echo "if [ -z \"\$RUBYLIB\" ]; then export RUBYLIB=\"$OB_DEST_BINDINGS\"; fi" >> "$RUBY_CONF"
echo "Openbabel configuration has been stored in '$OB_CONF'."
if ! grep "$OB_CONF" $HOME/.bashrc >/dev/null 2>&1 ; then
echo "source \"$OB_CONF\"" >> $HOME/.bashrc
fi
else
echo "It seems Openbabel is already configured ('$OB_CONF' exists)."
fi
source "$OB_CONF"
source "$RUBY_CONF"
echo
echo "Openbabel Installation finished."
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