34 lines
1.2 KiB
Ruby
34 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/17.221.tar.gz"
|
|
sha256 "b5dcdeb694ffc17f620a4517e4eba67018145774d6fa06c4076bfbfe79400407"
|
|
head "https://github.com/leandromartinez98/packmol.git"
|
|
|
|
bottle do
|
|
sha256 "94c754110714ab922137e7b2dc01e2ba580795364b9200954520dc77b2302022" => :high_sierra
|
|
sha256 "b08cdbaf8889812816c9a3999304fef09edbb4ebee08932d5aad2a3b09b2377b" => :sierra
|
|
sha256 "551f3a99d27dcc0d4c1a4c56526d22e2bcea25a8dc1551da62b806bc6760c3d4" => :el_capitan
|
|
sha256 "cf3c0f1d3cc39e1832432db174acb4f06ad53b460a927b76b63c97b6cba0baad" => :yosemite
|
|
end
|
|
|
|
depends_on :fortran
|
|
|
|
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
|