33 lines
1.1 KiB
Ruby
33 lines
1.1 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/leandromartinez98/packmol/archive/18.166.tar.gz"
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sha256 "104756d8c39e0ada6c508aa55513b0ef0f9ec944df0f0a8b38673a9edc2d21b2"
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head "https://github.com/leandromartinez98/packmol.git"
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bottle do
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sha256 "e678fc7aac994290c612090b6b214115891d61a0981b8cd3ccbee4fe0f338fe7" => :high_sierra
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sha256 "e9b717c41d745d3acc1d8e545dd6cd13b3446e498c1230ef116f4759b5e501ae" => :sierra
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sha256 "c1f34206ca69a27f68c6710648be8246c86ca0cca7183701bf0cdaafbde9b845" => :el_capitan
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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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