75 lines
2.9 KiB
Ruby
75 lines
2.9 KiB
Ruby
class Lammps < Formula
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desc "Molecular Dynamics Simulator"
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homepage "https://lammps.sandia.gov/"
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url "https://github.com/lammps/lammps/archive/stable_29Sep2021.tar.gz"
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# lammps releases are named after their release date. We transform it to
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# YYYY-MM-DD (year-month-day) so that we get a sane version numbering.
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# We only track stable releases as announced on the LAMMPS homepage.
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version "2021-09-29"
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sha256 "2dff656cb21fd9a6d46c818741c99d400cfb1b12102604844663b655fb2f893d"
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license "GPL-2.0-only"
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# The `strategy` block below is used to massage upstream tags into the
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# YYYY-MM-DD format we use in the `version`. This is necessary for livecheck
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# to be able to do proper `Version` comparison.
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livecheck do
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url :stable
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regex(%r{href=.*?/tag/stable[._-](\d{1,2}\w+\d{2,4})["' >]}i)
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strategy :github_latest do |page, regex|
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date_str = page[regex, 1]
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date_str.present? ? Date.parse(date_str).to_s : []
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end
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end
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bottle do
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sha256 cellar: :any, arm64_big_sur: "733aeed0631b5ddafb5d451fec96a20572f500efc66f5515918b3bc5825cb4ad"
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sha256 cellar: :any, big_sur: "bd9d9cc96fbd15fbeca8f6d5a1c7c39648d5bcc821be10d8d7fe5cb4bf91aefb"
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sha256 cellar: :any, catalina: "cab92149fe5abb3cdac4f145dc78dfe4e2b89db854b4a7f5cdf378a1015cb1f6"
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sha256 cellar: :any, mojave: "98d9d322f31be61b68bbe47377bd662e92f16024269ceb6d014895077f83a1eb"
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sha256 cellar: :any_skip_relocation, x86_64_linux: "c022b0213f4587b7beeab0a62b71dcc099a496fda194517e0d8d09922bbfdf6b"
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end
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depends_on "pkg-config" => :build
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depends_on "fftw"
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depends_on "gcc" # for gfortran
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depends_on "jpeg"
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depends_on "kim-api"
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depends_on "libpng"
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depends_on "open-mpi"
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def install
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ENV.cxx11
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# Disable some packages for which we do not have dependencies, that are
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# deprecated or require too much configuration.
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disabled_packages = %w[gpu kokkos latte mscg message mpiio poems python voronoi]
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%w[serial mpi].each do |variant|
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cd "src" do
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disabled_packages.each do |package|
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system "make", "no-#{package}"
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end
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system "make", variant,
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"LMP_INC=-DLAMMPS_GZIP",
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"FFT_INC=-DFFT_FFTW3 -I#{Formula["fftw"].opt_include}",
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"FFT_PATH=-L#{Formula["fftw"].opt_lib}",
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"FFT_LIB=-lfftw3",
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"JPG_INC=-DLAMMPS_JPEG -I#{Formula["jpeg"].opt_include} " \
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"-DLAMMPS_PNG -I#{Formula["libpng"].opt_include}",
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"JPG_PATH=-L#{Formula["jpeg"].opt_lib} -L#{Formula["libpng"].opt_lib}",
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"JPG_LIB=-ljpeg -lpng"
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bin.install "lmp_#{variant}"
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system "make", "clean-all"
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end
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end
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pkgshare.install(%w[doc potentials tools bench examples])
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end
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test do
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system "#{bin}/lmp_serial", "-in", "#{pkgshare}/bench/in.lj"
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end
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end
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