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/v20.12.0.tar.gz"
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sha256 "9c8a97f273ce6c6932b209a6c4e01653d02e1194bcb541d513f14b33f4bdab80"
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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: "1f3cb8f652817ff023117656ae4ffa5ed9429e1aa6f5e9c74f0eecb2e5388350"
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sha256 cellar: :any, arm64_monterey: "e3f60b53ae9a41f62b28594c967b8612f3b383e43397f69b74778dcf091de6b5"
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sha256 cellar: :any, arm64_big_sur: "5f11f9cd2ade93a0224266cdcca547e5e44111c708d7e4f6484fbf7e483b373d"
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sha256 ventura: "20938c6219173b29f755897d99996dc7e6f8f49e5b16d2e8bc60586255e587d4"
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sha256 monterey: "1e9a0857700f0033c2da0f3314b28003cdf072ff9cc97008e296b7f9e39e0aff"
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sha256 big_sur: "150d8fd325e8092381f5635ac4dc3ff31b870319988a1553620f565d497e5076"
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sha256 cellar: :any_skip_relocation, x86_64_linux: "be20da000a29fd155a2b422623c2a42a2a73e92e0fccae62a6e152ae5a930942"
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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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