class Gromacs < Formula
  desc "Versatile package for molecular dynamics calculations"
  homepage "http://www.gromacs.org/"
  url "https://ftp.gromacs.org/pub/gromacs/gromacs-2018.3.tar.gz"
  sha256 "4423a49224972969c52af7b1f151579cea6ab52148d8d7cbae28c183520aa291"

  bottle do
    sha256 "7e7a91d9324d2eea4c6095a7b469c9b59a103d3e7a564e16f7f647f084c82433" => :mojave
    sha256 "ecef5c12a18508f6f7a0b6273f606680121f5a2ddc9df2c792cbbbd4ff9463cf" => :high_sierra
    sha256 "da427af1b26005972c484923bd199ee0fb642096123ed7a1ca5b00916d0353ff" => :sierra
    sha256 "9096c516ac4cb6cb3e21cf07d1ddbe1e2647ae92c031f2c8d2330ee72a6bfbc0" => :el_capitan
  end

  option "with-double", "Enables double precision"
  option "with-mpi", "Enable parallel support"

  depends_on "cmake" => :build
  depends_on "fftw"
  depends_on "gsl"
  depends_on "open-mpi" if build.with? "mpi"
  depends_on :x11 => :optional

  def install
    args = std_cmake_args + %w[-DGMX_GSL=ON]
    args << "-DGMX_DOUBLE=ON" if build.include? "enable-double"
    args << "-DGMX_MPI=ON" if build.with? "mpi"
    args << "-DGMX_X11=ON" if build.with? "x11"

    inreplace "scripts/CMakeLists.txt", "CMAKE_INSTALL_BINDIR",
                                        "CMAKE_INSTALL_DATADIR"

    mkdir "build" do
      system "cmake", "..", *args
      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