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