class Gromacs < Formula desc "Versatile package for molecular dynamics calculations" homepage "http://www.gromacs.org/" url "https://ftp.gromacs.org/pub/gromacs/gromacs-2019.1.tar.gz" sha256 "b2c37ed2fcd0e64c4efcabdc8ee581143986527192e6e647a197c76d9c4583ec" bottle do sha256 "94d33c3b2aab69176bb9ae38225a4486f8e648e775628046cc376d6110f70c64" => :mojave sha256 "f5e98222c231b867623809636fe56ec550bf533f517b7312bb554a915bdf4fe9" => :high_sierra sha256 "c4479eb9a92d1615c2247c9ba3ab185de46a35cc37b55c2a6443f0f73eb7c0cb" => :sierra end depends_on "cmake" => :build depends_on "fftw" depends_on "gsl" def install inreplace "scripts/CMakeLists.txt", "CMAKE_INSTALL_BINDIR", "CMAKE_INSTALL_DATADIR" mkdir "build" do system "cmake", "..", *std_cmake_args, "-DGMX_GSL=ON" system "make" 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 GMXRC and other scripts installed to: #{HOMEBREW_PREFIX}/share/gromacs EOS end test do system "#{bin}/gmx", "help" end end