35 lines
1.2 KiB
Ruby
35 lines
1.2 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 "f2ecebd27ee7b115271c5361cbd8769dd5e8bf0fa8dc69fdd66a907bd4af6318" => :catalina
|
|
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
|