38 lines
1.5 KiB
Ruby
38 lines
1.5 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/mcubeg/packmol/archive/20.010.tar.gz"
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sha256 "23285f2a9e2bef0e8253250d7eae2d4026a9535ddcc2b9b383f5ad45b19e123d"
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license "MIT"
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revision 2
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head "https://github.com/mcubeg/packmol.git", branch: "master"
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bottle do
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sha256 arm64_big_sur: "3d43d73153e16a136bc8c222e38b04b564d974de27030ea6bc07a854e801b837"
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sha256 big_sur: "5e17a008667df7e5bc6bee6d5563dc3972c3f52b4243ab2d92507be35ce9d12b"
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sha256 catalina: "3ab1f82f9882aeb3e7fe733e7c375902bb5b9ced8573fcbc90913fcf19407c9a"
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sha256 mojave: "d881b332e102b00f5ebfd5f48ad10cb80087a0535d919514fe766e70e7fdf4f7"
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sha256 cellar: :any_skip_relocation, x86_64_linux: "651ebcddfe87e6a20289190f63d3f51b8d0e002f41308ae517b28913be823590"
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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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