89 lines
3.3 KiB
Ruby
89 lines
3.3 KiB
Ruby
class OpenBabel < Formula
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desc "Chemical toolbox"
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homepage "http://www.openbabel.org"
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stable do
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url "https://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz"
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sha256 "4eaca26679aa6cc85ebf96af19191472ac63ca442c36b0427b369c3a25705188"
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# Patch to support libc++ in OS X 10.9+, backport of upstream commit c3abbddae78e654df9322ad1020ff79dd6332946
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patch do
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url "https://gist.githubusercontent.com/erlendurj/40689d57bea3b0b0c767/raw/f8c87557bcdbd79fb796e06088cdd77123c9260a/ob-mavericks.patch"
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sha256 "b6b1a46f5c0e98763e1fec85523646bb43aae800449e076d63adff93e7302212"
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end
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# Patch to fix Molecule.draw() in pybel in accordance with upstream commit df59c4a630cf753723d1318c40479d48b7507e1c
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patch do
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url "https://gist.githubusercontent.com/fredrikw/5858168/raw/e4b5899e781d5707f5c386e436b5fc7810f2010d/ob-2-3-2-patch.diff"
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sha256 "52141601c7c87eaf3dec877b9120ac0eac2d1a75e3f0c1d82b6521f32410a892"
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end
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end
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bottle do
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sha256 "e632200d401723ed2f24181a785eb10234d2698a5d360f22356a13063bd46f0e" => :yosemite
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sha256 "4e18fbaba55efdc7a2f07743afeda5cb32d13ac987c1929968bef8ef16d3859b" => :mavericks
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sha256 "0350407844a4bbc86dbf0c6dd562ca6bac7b71b92251cfdf222a9f1d2a092306" => :mountain_lion
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end
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head do
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url "https://github.com/openbabel/openbabel.git"
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end
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option "with-cairo", "Support PNG depiction"
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option "with-java", "Compile Java language bindings"
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option "with-python", "Compile Python language bindings"
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option "with-wxmac", "Build with GUI"
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depends_on "pkg-config" => :build
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depends_on "cmake" => :build
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depends_on :python => :optional
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depends_on "wxmac" => :optional
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depends_on "cairo" => :optional
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depends_on "eigen"
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depends_on "swig" if build.with?("python") || build.with?("java")
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def install
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args = std_cmake_args
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args << "-DRUN_SWIG=ON" if build.with?("python") || build.with?("java")
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args << "-DJAVA_BINDINGS=ON" if build.with? "java"
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args << "-DBUILD_GUI=ON" if build.with? "wxmac"
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# Look for Cairo in HOMEBREW_PREFIX (automatic detection with cmake is fixed in HEAD)
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if build.with?("cairo") && !build.head?
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args << "-DCAIRO_INCLUDE_DIRS='#{HOMEBREW_PREFIX}/include/cairo'"
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args << "-DCAIRO_LIBRARIES='#{HOMEBREW_PREFIX}/lib/libcairo.dylib'"
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end
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# Point cmake towards correct python
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if build.with? "python"
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pypref = `python -c 'import sys;print(sys.prefix)'`.strip
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pyinc = `python -c 'from distutils import sysconfig;print(sysconfig.get_python_inc(True))'`.strip
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args << "-DPYTHON_BINDINGS=ON"
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args << "-DPYTHON_INCLUDE_DIR='#{pyinc}'"
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args << "-DPYTHON_LIBRARY='#{pypref}/lib/libpython2.7.dylib'"
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end
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args << ".."
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mkdir "build" do
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system "cmake", *args
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system "make"
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system "make", "install"
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end
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# Manually install the python files (fixed in HEAD)
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if build.with?("python") && !build.head?
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(lib+"python2.7/site-packages").install lib/"openbabel.py", lib/"pybel.py", lib/"_openbabel.so"
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end
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end
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def caveats
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<<-EOS.undent
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Java libraries are installed to #{HOMEBREW_PREFIX}/lib so this path should be
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included in the CLASSPATH environment variable.
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EOS
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end
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test do
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system "obabel", "-:'C1=CC=CC=C1Br'", "-omol"
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end
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end
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