require 'formula' class Gromacs < Formula homepage 'http://www.gromacs.org/' url 'ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.3.tar.gz' mirror 'https://fossies.org/linux/privat/gromacs-4.6.3.tar.gz' sha1 'bf01a19d0afdadc10b960faebbca1a68a10a4313' option 'enable-mpi', "Enables MPI support" option 'enable-double',"Enables double precision" option 'with-x', "Enable the X11 visualizer" depends_on 'cmake' => :build depends_on 'fftw' depends_on 'gsl' => :recommended depends_on :mpi if build.include? 'enable-mpi' depends_on :x11 if build.with? "x" def install args = std_cmake_args args << "-DGMX_GSL=ON" if build.with? "gsl" args << "-DGMX_MPI=ON" if build.include? 'enable-mpi' args << "-DGMX_DOUBLE=ON" if build.include? 'enable-double' args << "-DGMX_X11=ON" if build.with? "x" args << "-DGMX_CPU_ACCELERATION=None" if MacOS.version <= :snow_leopard inreplace 'scripts/CMakeLists.txt', 'BIN_INSTALL_DIR', 'DATA_INSTALL_DIR' cd "src" do system "cmake", "..", *args system "make" ENV.j1 system "make install" end bash_completion.install 'scripts/completion.bash' => 'gromacs-completion.bash' zsh_completion.install 'scripts/completion.zsh' => '_gromacs' end def caveats; <<-EOS.undent GMXRC and other scripts installed to: #{HOMEBREW_PREFIX}/share/gromacs EOS end end