rino 0.1.0

data/README

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+=Rino - The InChI Library for Ruby
+
+Rino is a Ruby library for generating InChI identifiers from
+molfiles. It is a thin wrapper around the C InChI
+toolkit (http://www.iupac.org/inchi/) developed at NIST and
+IUPAC.
+
+==Typical Usage
+
+  require 'rubygems'
+  require_gem 'rino'
+
+  reader = Rino::MolfileReader.new
+  inchi = reader.read(IO.read('benzene.mol'))
+
+  puts inchi -> 'InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H'
+  
+==Downloading
+
+Both a RubyGems installation package and a full source package
+can be obtained from:
+
+http://rubyforge.org/projects/rino
+
+==Requirements
+
+Rino was developed with Ruby 1.8.4. Earlier versions of Ruby
+may also be compatible.
+
+==Installing
+
+The RubyGems package can be installed using the following command
+(as root):
+
+gem install rino
+
+==License
+Rino is distributed under the GNU LGPL version 2.1 (see 'LICENSE').
+It contains source code from the InChI software distribution
+version 1.0.0, itself licensed under the LGPL.
+
+==Contact
+
+More information can be found at http://rino.rubyforge.org.

data/Rakefile

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+# =================================
+# Rino - The InChI Toolkit for Ruby
+# =================================
+#
+# Project Info:  http://rino.rubyforge.org
+#
+# Copyright (C) 2006 Richard L. Apodaca
+#
+# This library is free software; you can redistribute it and/or
+# modify it under the terms of the GNU Lesser General Public
+# License version 2.1 as published by the Free Software
+# Foundation.
+#
+# This library is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+# Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this library; if not, write to the Free
+# Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor
+# Boston, MA 02111-1301, USA.
+
+require 'rake'
+require 'rake/testtask'
+require 'rake/rdoctask'
+require 'rake/gempackagetask'
+
+PKG_VERSION = "0.1.0"
+
+PKG_FILES = FileList[
+  "Rakefile", "README",
+  "lib/**/*.rb",
+  "test/**/*",
+  "ext/**/*.h",
+  "ext/**/*.c",
+  "ext/**/*.so",
+]
+
+#do inchi first, then gem
+task :gem => [:inchi]
+
+desc "Default task"
+task :default => [:test]
+
+desc "Run unit tests"
+task :test => [:inchi]
+
+desc "Build the InChI C library"
+task :inchi do  
+  Dir.chdir("ext") do
+    ruby "extconf.rb"
+    system "make"
+  end
+end
+
+desc "Clean up"
+task :clean do
+  Dir.chdir("ext") do
+    system("make clean")
+    system("rm -f Makefile")
+  end
+  
+  rm_rf "doc"
+  rm_rf "pkg"
+  rm_rf "dist"
+end
+
+desc "Create the source distribution"
+task :dist do
+  rm_rf "dist"
+  
+  mkdir "dist"
+  mkdir "dist/lib"
+  mkdir "dist/ext"
+  mkdir "dist/ext/src"
+  mkdir "dist/test"
+  
+  cp_r Dir.glob('*.rb'), 'dist'
+  cp_r Dir.glob('lib/*.rb'), 'dist/lib'
+  cp_r Dir.glob('ext/*.rb'), 'dist/ext'
+  cp_r Dir.glob('ext/src/*.{c,h,rb}'), 'dist/ext/src'
+  cp_r Dir.glob('test/*.rb'), 'dist/test'
+  cp 'Rakefile', 'dist'
+  cp 'README', 'dist'
+  cp 'LICENSE', 'dist'
+end
+
+Rake::TestTask.new do |t|
+  t.libs << "test"
+  t.test_files = FileList['test/test*.rb']
+  t.verbose = true
+end
+
+Rake::RDocTask.new do |rdoc|
+  rdoc.rdoc_dir = 'doc'
+  rdoc.title    = "Rino"
+  rdoc.rdoc_files.include('README')
+  rdoc.options << '--line-numbers'
+  rdoc.options << '--inline-source'
+  rdoc.options << '--main' << 'README'
+  rdoc.rdoc_files.include('lib/**/*.rb')
+end
+
+spec = Gem::Specification.new do |s|
+  s.name = 'rino'
+  s.version = PKG_VERSION
+  s.author = "Richard Apodaca"
+  s.homepage = "http://rino.rubyforge.org"
+  s.platform = Gem::Platform::RUBY
+  s.require_path = 'lib'
+  s.autorequire = 'rino'
+  s.has_rdoc = true
+  s.files = PKG_FILES
+  s.extensions << 'ext/extconf.rb'  
+  s.summary = "A Ruby wrapper for the C InChI toolkit"
+end
+
+Rake::GemPackageTask.new(spec) do |pkg|
+  pkg.need_tar = true
+  pkg.need_tar_gz = true
+  pkg.package_files += PKG_FILES
+end

data/ext/extconf.rb

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+# =================================
+# Rino - The InChI Toolkit for Ruby
+# =================================
+#
+# Project Info:  http://rino.rubyforge.org
+#
+# Copyright (C) 2006 Richard L. Apodaca
+#
+# This library is free software; you can redistribute it and/or
+# modify it under the terms of the GNU Lesser General Public
+# License version 2.1 as published by the Free Software
+# Foundation.
+#
+# This library is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+# Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this library; if not, write to the Free
+# Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor
+# Boston, MA 02111-1301, USA.
+
+require 'mkmf'
+
+create_makefile("ruby_inchi_main", "src")