39 lines
1.6 KiB
Ruby
39 lines
1.6 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/m3g/packmol/archive/20.010.tar.gz"
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sha256 "23285f2a9e2bef0e8253250d7eae2d4026a9535ddcc2b9b383f5ad45b19e123d"
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license "MIT"
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revision 3
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head "https://github.com/m3g/packmol.git", branch: "master"
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bottle do
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sha256 cellar: :any, arm64_monterey: "fecff45f74a420d0130da37bf0cf5a28af97374bf937d420224c0b788c9f3484"
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sha256 cellar: :any, arm64_big_sur: "71e139ba5f9087ca1138850734c38b2deb8ab1796f31c9eac69995e614039360"
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sha256 monterey: "a542c7ba163c2c80ee6cff96d723d870365805857cc33850a5cb476a9d4fc7fa"
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sha256 big_sur: "f70726c2caa17229c95639622cc67cb6a7e8328b8159a1802bee7ad5ad6f486a"
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sha256 catalina: "d97c6f8b4ae3d70ddb8dd2a18f2ad16708a0d6b4e5cb98af4def6cd44b760e49"
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sha256 cellar: :any_skip_relocation, x86_64_linux: "8eabbc1b2d945ee2c28a7df09863d4d36754e4d0f925c0b458931a89d245348c"
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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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