91 lines
3.2 KiB
Ruby
91 lines
3.2 KiB
Ruby
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
|