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/17.221.tar.gz"
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sha256 "b5dcdeb694ffc17f620a4517e4eba67018145774d6fa06c4076bfbfe79400407"
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head "https://github.com/leandromartinez98/packmol.git"
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bottle do
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sha256 "b08cdbaf8889812816c9a3999304fef09edbb4ebee08932d5aad2a3b09b2377b" => :sierra
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sha256 "551f3a99d27dcc0d4c1a4c56526d22e2bcea25a8dc1551da62b806bc6760c3d4" => :el_capitan
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sha256 "cf3c0f1d3cc39e1832432db174acb4f06ad53b460a927b76b63c97b6cba0baad" => :yosemite
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end
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depends_on :fortran
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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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