class Gromacs < Formula desc "Versatile package for molecular dynamics calculations" homepage "http://www.gromacs.org/" url "ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.1.1.tar.gz" mirror "https://fossies.org/linux/privat/gromacs-5.1.1.tar.gz" sha256 "9316fd0be320e2dd8c048f905df5be115e1b230c4ca4f3a7ef5892a1fc0bc212" bottle do sha256 "8a7b09bbb64edff8c203b6db0240c048f209e0c44053c9d25a36a45dea3cc98a" => :el_capitan sha256 "aa22e73e1eb9a00c135979a3841820e569efbb2e235ef520a9370e1cc59152da" => :yosemite sha256 "2371754e9219570eddae802ecdac677777ba8d79dd8072030845a649c7c20d58" => :mavericks end deprecated_option "with-x" => "with-x11" deprecated_option "enable-mpi" => "with-mpi" deprecated_option "enable-double" => "with-double" option "with-double", "Enables double precision" option "without-check", "Skip build-time tests (not recommended)" depends_on "cmake" => :build depends_on "fftw" depends_on "gsl" => :recommended depends_on :mpi => :optional depends_on :x11 => :optional def install args = std_cmake_args args << "-DGMX_GSL=ON" if build.with? "gsl" args << "-DGMX_MPI=ON" if build.with? "mpi" args << "-DGMX_DOUBLE=ON" if build.include? "enable-double" args << "-DGMX_X11=ON" if build.with? "x11" args << "-DGMX_CPU_ACCELERATION=None" if MacOS.version <= :snow_leopard args << "-DREGRESSIONTEST_DOWNLOAD=ON" if build.with? "check" inreplace "scripts/CMakeLists.txt", "BIN_INSTALL_DIR", "DATA_INSTALL_DIR" mkdir "build" do system "cmake", "..", *args system "make" system "make", "check" if build.with? "check" ENV.deparallelize system "make", "install" end bash_completion.install "build/scripts/GMXRC" => "gromacs-completion.bash" bash_completion.install "#{bin}/gmx-completion-gmx.bash" => "gmx-completion-gmx.bash" bash_completion.install "#{bin}/gmx-completion.bash" => "gmx-completion.bash" zsh_completion.install "build/scripts/GMXRC.zsh" => "_gromacs" end def caveats; <<-EOS.undent GMXRC and other scripts installed to: #{HOMEBREW_PREFIX}/share/gromacs EOS end test do system "gmx", "help" end end