From 632f04c25f83c9d11adaa5f1b53af296ee16a7ea Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.de>
Date: Thu, 13 Aug 2009 16:03:21 +0200
Subject: smiles generation and smarts matching with openbabel, canonical
 smiles as identifier, rake task for installation

---
 Rakefile | 29 +++++++++++++++++++++++++++++
 1 file changed, 29 insertions(+)
 create mode 100644 Rakefile

(limited to 'Rakefile')

diff --git a/Rakefile b/Rakefile
new file mode 100644
index 0000000..602ea40
--- /dev/null
+++ b/Rakefile
@@ -0,0 +1,29 @@
+require 'rubygems'
+require 'rake'
+
+desc "Install required gems and openbabel"
+task :install do
+	`sudo gem sources -a http://gems.github.com`
+	`sudo gem install sinatra rest-client emk-sinatra-url-for cehoffman-sinatra-respond_to`
+	begin
+		require 'openbabel'
+		puts "Openbabel is already installed"
+	rescue
+		Dir.chdir('/tmp')
+		`wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.2.2/openbabel-2.2.2.tar.gz`
+		`tar xzf openbabel-2.2.2.tar.gz`
+		Dir.chdir('openbabel-2.2.2')
+		`configure && make`
+		`sudo make install`
+		Dir.cd('srcipts/ruby')
+		`ruby extconf.rb --with-openbabel-include=../../include --with-openbabel-lib=../../src/.libs`
+		`make`
+		`make install`
+	end
+end
+
+desc "Run tests"
+task :test do
+	load 'test.rb'
+end
+
-- 
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