tjh.dev
1{ lib
2, fetchurl
3, buildPythonPackage
4, pymatgen
5, pytest-runner
6, pytestCheckHook
7, isPy3k
8}:
9
10buildPythonPackage rec {
11 pname = "pymatgen-lammps";
12 version = "0.4.5";
13 disabled = !isPy3k;
14
15 src = fetchurl {
16 url = "https://gitlab.com/costrouc/${pname}/-/archive/v${version}/${pname}-v${version}.tar.gz";
17 sha256 = "0shldl8is3195jmji7dr3zsh1bzxlahaqrmpr28niks7nnfj80fx";
18 };
19
20 buildInputs = [ pytest-runner ];
21 nativeCheckInputs = [ pytestCheckHook ];
22 propagatedBuildInputs = [ pymatgen ];
23
24 pythonImportsCheck = [ "pmg_lammps" ];
25
26 meta = {
27 description = "A LAMMPS wrapper using pymatgen";
28 homepage = "https://gitlab.com/costrouc/pymatgen-lammps";
29 license = lib.licenses.mit;
30 maintainers = with lib.maintainers; [ costrouc ];
31 # not compatible with recent versions of pymatgen
32 broken = true;
33 };
34}