57 lines
2.0 KiB
Ruby
57 lines
2.0 KiB
Ruby
class Lammps < Formula
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desc "Molecular Dynamics Simulator"
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homepage "http://lammps.sandia.gov/"
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url "http://lammps.sandia.gov/tars/lammps-11Aug17.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 "2017-08-11"
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sha256 "33431329fc735fb12d22ed33399235ef9506ba759a281a24028de538822af104"
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revision 2
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bottle do
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cellar :any
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sha256 "8b86fa06a09801452a51f18a5e1b8672c551fab4c05e5754bd95c781be9a3d84" => :high_sierra
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sha256 "e4ff088094f6e52cf1d66b4fb7c55e2d447dee9266ff08e333bdcbaa4676aee2" => :sierra
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sha256 "b641e7a8e79e489c1b7aae431d9b7efc935cb3b5736cccf1074806f48b7cac57" => :el_capitan
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end
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depends_on "fftw"
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depends_on "jpeg"
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depends_on "libpng"
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depends_on :fortran
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depends_on :mpi => [:cxx, :f90]
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def install
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%w[serial mpi].each do |variant|
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cd "src" do
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system "make", "clean-all"
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system "make", "yes-standard"
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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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%w[gpu kim kokkos mscg meam mpiio poems reax voronoi].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} -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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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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