90 lines
3.3 KiB
Ruby
90 lines
3.3 KiB
Ruby
class OpenBabel < Formula
|
|
desc "Chemical toolbox"
|
|
homepage "http://www.openbabel.org"
|
|
|
|
head "https://github.com/openbabel/openbabel.git"
|
|
|
|
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 "c83b5fb690526decabcb2add2a64454008c988a8ee47cbba0db7da324d948066" => :el_capitan
|
|
sha256 "e632200d401723ed2f24181a785eb10234d2698a5d360f22356a13063bd46f0e" => :yosemite
|
|
sha256 "4e18fbaba55efdc7a2f07743afeda5cb32d13ac987c1929968bef8ef16d3859b" => :mavericks
|
|
sha256 "0350407844a4bbc86dbf0c6dd562ca6bac7b71b92251cfdf222a9f1d2a092306" => :mountain_lion
|
|
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 "#{bin}/obabel", "-:'C1=CC=CC=C1Br'", "-omol"
|
|
end
|
|
end
|