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require 'formula'
class OpenBabel < Formula
homepage 'http://www.openbabel.org'
stable do
url 'https://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz'
sha1 'b8831a308617d1c78a790479523e43524f07d50d'
# 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"
sha1 "3ea95b20fdbe50f656f3073ef8916974495b569a"
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"
sha1 "e304c308b39a465b632b397aa669c26f4b375da1"
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' or build.with? 'java'
def install
args = std_cmake_args
args << "-DRUN_SWIG=ON" if build.with? 'python' or 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' and not 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' and not 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
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