openbabel 2.3.1.2 → 2.3.1.3

data/Rakefile

@@ -1,3 +1,4 @@
+require "bundler/gem_tasks"
 require 'rake/testtask'
 
 Rake::TestTask.new do |t|

data/ext/openbabel/extconf.rb

@@ -4,22 +4,33 @@ require 'tmpdir'
 ob_num_ver="2.3.1"
 ob_ver="openbabel-"+ob_num_ver
 
-main_dir = Dir.mktmpdir
-ob_main_dir=main_dir+"/"+ob_ver
-ob_bindings_dir=ob_main_dir+"/scripts/ruby"
+main_dir = File.expand_path(File.join(File.dirname(__FILE__),"..","..","src"))
+lib_dir = File.expand_path(File.join(File.dirname(__FILE__),"..","..","src"))
+Dir.mkdir main_dir
+ob_main_dir = File.join(main_dir,ob_ver)
+ob_bindings_dir = File.join(ob_main_dir,"scripts","ruby")
 
 begin
   Dir.chdir main_dir do
     FileUtils.rm_rf ob_main_dir
-    `curl -L -d use_mirror=netcologne "http://downloads.sourceforge.net/project/openbabel/openbabel/#{ob_num_ver}/openbabel-#{ob_num_ver}.tar.gz" | tar xz`
+    puts "Downloading OpenBabel sources"
+    puts `curl -L -d use_mirror=netcologne "http://downloads.sourceforge.net/project/openbabel/openbabel/#{ob_num_ver}/openbabel-#{ob_num_ver}.tar.gz" | tar xz`
   end
   Dir.chdir ob_main_dir do
-    `cmake #{ob_main_dir}`
+    puts "Configuring OpenBabel"
+    puts `cmake #{ob_main_dir} -DCMAKE_INSTALL_PREFIX=#{lib_dir}`
+    unless File.exists?(`which obabel`.chomp)
+      puts "OpenBabel not installed. Compiling sources."
+      puts `make`
+      puts `make install`
+    end
   end
   Dir.chdir ob_bindings_dir do
+    puts "Compiling and instaling OpenBabel Ruby bindings."
     `sed -i 's/Init_OpenBabel/Init_openbabel/g' *cpp`
     require './extconf.rb'
-    `make`
+    `sed -i 's/-flat_namespace//' Makefile`
+    puts `make`
   end
   FileUtils.cp(ob_bindings_dir+"/openbabel.so", "./")
 ensure

metadata

@@ -1,70 +1,51 @@
---- !ruby/object:Gem::Specification 
+--- !ruby/object:Gem::Specification
 name: openbabel
-version: !ruby/object:Gem::Version 
-  prerelease: false
-  segments: 
-  - 2
-  - 3
-  - 1
-  - 2
-  version: 2.3.1.2
+version: !ruby/object:Gem::Version
+  version: 2.3.1.3
+  prerelease: 
 platform: ruby
-authors: 
-- Andreas Maunz
+authors:
+- Andreas Maunz, Christoph Helma
 autorequire: 
 bindir: bin
 cert_chain: []
-
-date: 2012-04-03 00:00:00 +02:00
-default_executable: 
+date: 2012-04-03 00:00:00.000000000 Z
 dependencies: []
-
-description: "OpenBabel GEM. Depends on: OpenBabel dev lib, curl, and cmake. Compiles on POSIX systems."
+description: OpenBabel as a GEM
 email: andreas@maunz.de
 executables: []
-
-extensions: 
+extensions:
 - ext/openbabel/extconf.rb
 extra_rdoc_files: []
-
-files: 
+files:
 - Rakefile
-- README.md
 - lib/openbabel.rb
 - ext/openbabel/Makefile
 - test/test_openbabel.rb
 - ext/openbabel/extconf.rb
-has_rdoc: true
 homepage: http://cs.maunz.de
 licenses: []
-
 post_install_message: 
 rdoc_options: []
-
-require_paths: 
+require_paths:
 - lib
-required_ruby_version: !ruby/object:Gem::Requirement 
+required_ruby_version: !ruby/object:Gem::Requirement
   none: false
-  requirements: 
-  - - ">="
-    - !ruby/object:Gem::Version 
-      segments: 
-      - 0
-      version: "0"
-required_rubygems_version: !ruby/object:Gem::Requirement 
+  requirements:
+  - - ! '>='
+    - !ruby/object:Gem::Version
+      version: '0'
+required_rubygems_version: !ruby/object:Gem::Requirement
   none: false
-  requirements: 
-  - - ">="
-    - !ruby/object:Gem::Version 
-      segments: 
-      - 0
-      version: "0"
+  requirements:
+  - - ! '>='
+    - !ruby/object:Gem::Version
+      version: '0'
 requirements: []
-
 rubyforge_project: 
-rubygems_version: 1.3.7
+rubygems_version: 1.8.18
 signing_key: 
 specification_version: 3
 summary: OpenBabel!
-test_files: 
+test_files:
 - test/test_openbabel.rb

data/README.md

@@ -1,15 +0,0 @@
-# openbabel gem
-
-GEM for [OpenBabel](http://openbabel.sf.net), a chemical library by Noel O'Boyle and others.
-
-openbabel gem has been tested with ruby 1.9. It only compiles on POSIX systems and requires the following to be installed already:
-
-  * openbabel library
-  * cmake
-  * curl
-  * tar, sed, make (those should be present anyway)
-
-## Install
-gem install openbabel
-
-It downloads the sources, compiles the ruby bindings and installs them. Check out [http://cs.maunz.de](http://cs.maunz.de) for more information.