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/18.013.tar.gz"
|
|
sha256 "2e87f8ffc24a7a8702baf895a051ad5b5f2dbdebc158ba0235a6f6eaf617eb9a"
|
|
head "https://github.com/leandromartinez98/packmol.git"
|
|
|
|
bottle do
|
|
sha256 "96deacd0dca499fb3f577033ceabb122822d44a2060cdc47b02a57fb2358a63f" => :high_sierra
|
|
sha256 "d1948aba64f56109ccfc9e7bedf48950114c6bce751e6f653bee140e6d58a1d7" => :sierra
|
|
sha256 "517f2c6c55adf427b5c2b6132fb3a1ca654057a0b95c46cef33b8ef1cb6cc57a" => :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
|