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/17.333.tar.gz"
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sha256 "9b8a73f3ce0cdc7ad554fc6ece1e46ee11ad5803153cf46d3dbcedcc65a1d55f"
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head "https://github.com/leandromartinez98/packmol.git"
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bottle do
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sha256 "506f80e05a8cf958951d886a59b623b80ce4c590dffa2e906cbf593f57cf5ca6" => :high_sierra
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sha256 "e18dea57a113401f7bccd34799e11c70560112c3fab1364bbac200b8b73211e4" => :sierra
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sha256 "9b7c37f880590542890871c5527299a155dc28385698e71c97e39d13603c353c" => :el_capitan
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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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