nixpkgs/pkgs/development/python-modules/pymatgen-lammps/default.nix

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{ lib
, fetchurl
, buildPythonPackage
, pymatgen
, lammps
, pytestrunner
, pytest
, isPy3k
}:
buildPythonPackage rec {
pname = "pymatgen-lammps";
version = "0.4.5";
disabled = (!isPy3k);
src = fetchurl {
url = "https://gitlab.com/costrouc/${pname}/-/archive/v${version}/${pname}-v${version}.tar.gz";
sha256 = "0shldl8is3195jmji7dr3zsh1bzxlahaqrmpr28niks7nnfj80fx";
};
buildInputs = [ pytestrunner ];
checkInputs = [ pytest ];
propagatedBuildInputs = [ pymatgen ];
meta = {
description = "A LAMMPS wrapper using pymatgen";
homepage = https://gitlab.com/costrouc/pymatgen-lammps;
license = lib.licenses.mit;
maintainers = with lib.maintainers; [ costrouc ];
};
}