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| author | Christoph Helma <helma@in-silico.de> | 2009-08-13 16:03:21 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.de> | 2009-08-13 16:03:21 +0200 |
| commit | 632f04c25f83c9d11adaa5f1b53af296ee16a7ea (patch) | |
| tree | 936ad013a09363b6605e8e5d249d74cf590e4adb /Rakefile | |
| parent | cf4caa7e243b80017105f8dee8f5a85c933692d7 (diff) | |
smiles generation and smarts matching with openbabel, canonical smiles as identifier, rake task for installation
Diffstat (limited to 'Rakefile')
| -rw-r--r-- | Rakefile | 29 |
1 files changed, 29 insertions, 0 deletions
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 + |