homebrew-core/Formula/packmol.rb
2019-05-08 13:02:38 +02:00

34 lines
1.1 KiB
Ruby

class Packmol < Formula
desc "Packing optimization for molecular dynamics simulations"
homepage "https://www.ime.unicamp.br/~martinez/packmol/"
url "https://github.com/leandromartinez98/packmol/archive/18.169.tar.gz"
sha256 "8acf2cbc742a609e763eb00cae55aecd09af2edb4cc4e931706e2f06ac380de9"
revision 1
head "https://github.com/leandromartinez98/packmol.git"
bottle do
sha256 "cf9e09622c5693667366b71ac09c0a1dcde7a66994ec5fecaae93c4187032667" => :mojave
sha256 "7dbe01c4cf358d1183fcb8ca26e8289c20f8abd6ce04f078471eb34c65a0b204" => :high_sierra
sha256 "c4cd96908626a8f04e3f9e0858c15deec9baa1841c1239fdcb08bd582f5acad1" => :sierra
end
depends_on "gcc" # for gfortran
resource "examples" do
url "https://www.ime.unicamp.br/~martinez/packmol/examples/examples.tar.gz"
sha256 "97ae64bf5833827320a8ab4ac39ce56138889f320c7782a64cd00cdfea1cf422"
end
def install
system "./configure"
system "make"
bin.install("packmol")
pkgshare.install "solvate.tcl"
(pkgshare/"examples").install resource("examples")
end
test do
cp Dir["#{pkgshare}/examples/*"], testpath
system bin/"packmol < interface.inp"
end
end