e9380c6437
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. http://openbabel.org/ Signed-off-by: Adam Vandenberg <flangy@gmail.com>
94 lines
2.8 KiB
Ruby
94 lines
2.8 KiB
Ruby
require 'formula'
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class OasaPythonModule < Requirement
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def message; <<-EOS.undent
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The oasa Python module is required for some operations.
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It can be downloaded from:
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http://bkchem.zirael.org/oasa_en.html
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EOS
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end
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def satisfied?
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args = %W{/usr/bin/env python -c import\ oasa}
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quiet_system *args
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end
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end
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class OpenBabel < Formula
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homepage 'http://openbabel.org/'
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url 'http://sourceforge.net/projects/openbabel/files/openbabel/2.2.3/openbabel-2.2.3.tar.gz'
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md5 '7ea8845c54d6d3a9be378c78088af804'
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head 'https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/trunk'
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depends_on OasaPythonModule.new
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def options
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[
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["--perl", "Perl bindings"],
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["--python", "Python bindings"],
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["--ruby", "Ruby bindings"]
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]
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end
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def install
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args = ["--disable-dependency-tracking",
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"--prefix=#{prefix}"]
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args << '--enable-maintainer-mode' if ARGV.build_head?
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system "./configure", *args
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system "make"
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system "make install"
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ENV['OPENBABEL_INSTALL'] = prefix
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# Install the python bindings
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if ARGV.include? '--python'
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cd 'scripts/python' do
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system "python", "setup.py", "build"
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system "python", "setup.py", "install", "--prefix=#{prefix}"
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end
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end
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# Install the perl bindings.
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if ARGV.include? '--perl'
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cd 'scripts/perl' do
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# because it's not yet been linked, the perl script won't find the newly
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# compiled library unless we pass it in as LD_LIBRARY_PATH.
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ENV['LD_LIBRARY_PATH'] = "lib"
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system 'perl', 'Makefile.PL'
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# With the additional argument "PREFIX=#{prefix}" it puts things in #{prefix} (where perl can't find them).
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# Without, it puts them in /Library/Perl/...
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inreplace "Makefile" do |s|
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# Fix the broken Makefile (-bundle not allowed with -dynamiclib).
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# I think this is a SWIG error, but I'm not sure.
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s.gsub! '-bundle ', ''
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# Don't waste time building PPC version.
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s.gsub! '-arch ppc ', ''
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# Don't build i386 version when libopenbabel can't link to it.
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s.gsub! '-arch i386 ', ''
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end
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system "make"
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system "make test"
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system "make install"
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end
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end
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# Install the ruby bindings.
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if ARGV.include? '--ruby'
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cd 'scripts/ruby' do
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system "ruby", "extconf.rb",
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"--with-openbabel-include=#{include}",
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"--with-openbabel-lib=#{lib}"
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# Don't build i386 version when libopenbabel can't link to it.
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inreplace "Makefile", '-arch i386 ', ''
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# With the following line it puts things in #{prefix} (where ruby can't find them).
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# Without, it puts them in /Library/Ruby/...
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#ENV['DESTDIR']=prefix
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system "make"
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system "make install"
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end
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end
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end
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end
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