52 lines
1.7 KiB
Ruby
52 lines
1.7 KiB
Ruby
class Gromacs < Formula
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desc "Versatile package for molecular dynamics calculations"
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homepage "http://www.gromacs.org/"
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url "https://ftp.gromacs.org/pub/gromacs/gromacs-2016.4.tar.gz"
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sha256 "4be9d3bfda0bdf3b5c53041e0b8344f7d22b75128759d9bfa9442fe65c289264"
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bottle do
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rebuild 1
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sha256 "fbe26581c8430f11e653030247229c8fce9c0ab86e5d5d38f4829df2f165d676" => :high_sierra
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sha256 "89f40154abdee6cf57dd990b9aa61eb568a2e4dea7d590fea94993d1c52cfd0d" => :sierra
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sha256 "893b2625884d8c4215fbbe9ea279a10b2c8460cf505fe1c530fa5169e1788925" => :el_capitan
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end
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option "with-double", "Enables double precision"
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option "with-mpi", "Enable parallel support"
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depends_on "cmake" => :build
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depends_on "fftw"
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depends_on "gsl"
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depends_on "open-mpi" if build.with? "mpi"
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depends_on :x11 => :optional
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def install
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args = std_cmake_args + %w[-DGMX_GSL=ON]
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args << "-DGMX_DOUBLE=ON" if build.include? "enable-double"
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args << "-DGMX_MPI=ON" if build.with? "mpi"
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args << "-DGMX_X11=ON" if build.with? "x11"
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inreplace "scripts/CMakeLists.txt", "BIN_INSTALL_DIR", "DATA_INSTALL_DIR"
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mkdir "build" do
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system "cmake", "..", *args
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system "make"
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ENV.deparallelize { system "make", "install" }
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end
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bash_completion.install "build/scripts/GMXRC" => "gromacs-completion.bash"
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bash_completion.install "#{bin}/gmx-completion-gmx.bash" => "gmx-completion-gmx.bash"
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bash_completion.install "#{bin}/gmx-completion.bash" => "gmx-completion.bash"
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zsh_completion.install "build/scripts/GMXRC.zsh" => "_gromacs"
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end
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def caveats; <<~EOS
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GMXRC and other scripts installed to:
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#{HOMEBREW_PREFIX}/share/gromacs
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EOS
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end
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test do
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system "#{bin}/gmx", "help"
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end
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end
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