38 lines
1.3 KiB
Ruby
38 lines
1.3 KiB
Ruby
class Packmol < Formula
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desc "Packing optimization for molecular dynamics simulations"
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homepage "https://www.ime.unicamp.br/~martinez/packmol/"
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url "https://github.com/mcubeg/packmol/archive/20.010.tar.gz"
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sha256 "23285f2a9e2bef0e8253250d7eae2d4026a9535ddcc2b9b383f5ad45b19e123d"
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license "MIT"
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revision 1
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head "https://github.com/mcubeg/packmol.git"
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bottle do
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sha256 arm64_big_sur: "9715f53e8c9622194f19b3c38278841a0ae9f7f5d85bbc7d0cb9a487f062cded"
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sha256 big_sur: "891b4a635649b6a18cc9f4743ff3c4580dd38deaa6e5b1c17435f0154a528e9b"
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sha256 catalina: "2de3ad79e6630d32fe68ac901ab113ba8ae3370e1976909390bcf4eb76a9a1d9"
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sha256 mojave: "2db13531577dfafcaa3d654a714e0c44503049b968ae3f6622baf3d53933afec"
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sha256 high_sierra: "ccdde7eab41ce8847bc3fcabdb482c68ea3f39c029abe0c146ec9ea370c97bfe"
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end
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depends_on "gcc" # for gfortran
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resource "examples" do
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url "https://www.ime.unicamp.br/~martinez/packmol/examples/examples.tar.gz"
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sha256 "97ae64bf5833827320a8ab4ac39ce56138889f320c7782a64cd00cdfea1cf422"
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end
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def install
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system "./configure"
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system "make"
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bin.install("packmol")
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pkgshare.install "solvate.tcl"
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(pkgshare/"examples").install resource("examples")
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end
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test do
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cp Dir["#{pkgshare}/examples/*"], testpath
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system bin/"packmol < interface.inp"
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end
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end
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