33 lines
1.1 KiB
Ruby
33 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/18.104.tar.gz"
|
|
sha256 "a87cb076f82a5ee94206b7534cd790c243fadd2d64bca5b12aa88493d5024f87"
|
|
head "https://github.com/leandromartinez98/packmol.git"
|
|
|
|
bottle do
|
|
sha256 "ae3a96ca2b9e9c2569f14b5e88e64c9d38f8fefad2369e9eb6873eb805190db5" => :high_sierra
|
|
sha256 "cad4f11bb13d0b5ff296f6dd91e8f79d31dacf7e6020d582bb5930c07b301a28" => :sierra
|
|
sha256 "4aeeb7e3b5a0fcc39a37a80b00ad27520c2852e138a48174d8d60980485faec7" => :el_capitan
|
|
end
|
|
|
|
depends_on "gcc"
|
|
|
|
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
|