34 lines
1.2 KiB
Ruby
34 lines
1.2 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/18.104.tar.gz"
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sha256 "a87cb076f82a5ee94206b7534cd790c243fadd2d64bca5b12aa88493d5024f87"
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revision 1
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head "https://github.com/leandromartinez98/packmol.git"
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bottle do
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sha256 "d524677b620eb37e232a91d2b8dac99bb33e2fd286ed7abbf9b38ac5ffe61c8d" => :high_sierra
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sha256 "d2d1320299846a5ca294619e6167ef26de456ce7219064b58c6fe93f3025d7ed" => :sierra
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sha256 "c9328104bd3ff68e826a265adaff9b1977e2a21d619052d3089e5a08ae4b0b44" => :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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