pyrox.dev
1{ lib
2, fetchurl
3, buildPythonPackage
4, pymatgen
5, lammps
6, pytestrunner
7, pytest
8, isPy3k
9}:
10
11buildPythonPackage rec {
12 pname = "pymatgen-lammps";
13 version = "0.4.5";
14 disabled = (!isPy3k);
15
16 src = fetchurl {
17 url = "https://gitlab.com/costrouc/${pname}/-/archive/v${version}/${pname}-v${version}.tar.gz";
18 sha256 = "0shldl8is3195jmji7dr3zsh1bzxlahaqrmpr28niks7nnfj80fx";
19 };
20
21 buildInputs = [ pytestrunner ];
22 checkInputs = [ pytest ];
23 propagatedBuildInputs = [ pymatgen ];
24
25 meta = {
26 description = "A LAMMPS wrapper using pymatgen";
27 homepage = https://gitlab.com/costrouc/pymatgen-lammps;
28 license = lib.licenses.mit;
29 maintainers = with lib.maintainers; [ costrouc ];
30 };
31}