blob: 94ff98140f830975f6b9da280db70cb601170b18 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
|
#!/bin/bash
#
# Installs Openbabel.
# A configuration file is created and included in your '~.bashrc'.
# Author: Christoph Helma, Andreas Maunz.
#
source "`pwd`/utils.sh"
DIR="`pwd`"
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
LOG="/tmp/`basename $0`-log.txt"
echo
echo "Openbabel ('$OB_DEST', '$LOG'):"
mkdir "$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 [ ! $OB_DONE ]; then
cd "/tmp">>$LOG 2>/dev/null
URI="http://downloads.sourceforge.net/project/openbabel/openbabel/$OB_NUM_VER/$OB_VER.tar.gz?use_mirror=kent"
if ! [ -d "/tmp/$OB_VER" ]; then
cmd="$WGET $URI" && run_cmd "$cmd" "Download"
cmd="tar zxf $OB_VER.tar.gz?use_mirror=kent $OB_VER" && run_cmd "$cmd" "Unpack"
fi
cd "/tmp/$OB_VER">>$LOG 2>/dev/null
cmd="./configure --prefix=$OB_DEST" && run_cmd "$cmd" "Configure"
cmd="make" && run_cmd "$cmd" "Make"
cmd="make install" && run_cmd "$cmd" "Install"
fi
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\"" >> $HOME/.bashrc
fi
fi
echo
echo "Bindings:"
OB_DONE=false
source "$HOME/.bashrc"
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/"
cmd="ruby extconf.rb --with-openbabel-include=$OB_DEST/include/openbabel-2.0 --with-openbabel-lib=$OB_DEST/lib" && run_cmd "$cmd" "Code"
cmd="make" && run_cmd "$cmd" "Make"
cmd="cp openbabel.so $OB_DEST_BINDINGS" && run_cmd "$cmd" "Install"
fi
cd "$DIR"
|
