39 lines
1.7 KiB
Ruby
39 lines
1.7 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/m3g/packmol/archive/v20.11.1.tar.gz"
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sha256 "3e3c3b0d860fa48f115f9665325244737103dde1b978dd6d31700a329c3bfe17"
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license "MIT"
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head "https://github.com/m3g/packmol.git", branch: "master"
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bottle do
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sha256 cellar: :any, arm64_ventura: "c7ae8e230d8e282900b723897bdbb741bdf3a1aaff8582ee1ba863dcb60de19e"
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sha256 cellar: :any, arm64_monterey: "7c7d1f78867bdcc96ad187976bd8ac41082e639b21dbcf286bf94228650c1c19"
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sha256 cellar: :any, arm64_big_sur: "fa039b0ae50bbe63b1bb8f7055e7966f41e7f02a4c1d7134f6916c64ea7fce90"
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sha256 ventura: "18f85b3d4c964f3fc14e53d0034d0f82d4919f70e421ec2d671e427ddea8e306"
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sha256 monterey: "cce33f6c899378e1055aa05d7f87de6a064784bc41f33b87ebefbb81681c9275"
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sha256 big_sur: "0ac12ca2e9ae4f83fd5303480cb4d9549b0fa6addd4115165bee90ab4c60ab7d"
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sha256 cellar: :any_skip_relocation, x86_64_linux: "62f8a1b6670a2fc0e5276851e3ef65b5d5c1b64b3326789eca565f8dc3a1e3e2"
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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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