pyrox.dev
1{ lib
2, buildPythonPackage
3, fetchPypi
4, numpy
5, pyyaml
6, matplotlib
7, h5py
8, scipy
9, spglib
10, pytestCheckHook
11, pythonOlder
12}:
13
14buildPythonPackage rec {
15 pname = "phonopy";
16 version = "2.20.0";
17 format = "setuptools";
18
19 disabled = pythonOlder "3.7";
20
21 src = fetchPypi {
22 inherit pname version;
23 hash = "sha256-peL50b1u+tBRxt/U2SloRvS9LTeMXEjrF5F3ZWhJmZ4=";
24 };
25
26 propagatedBuildInputs = [
27 h5py
28 matplotlib
29 numpy
30 pyyaml
31 scipy
32 spglib
33 ];
34
35 nativeCheckInputs = [
36 pytestCheckHook
37 ];
38
39 # prevent pytest from importing local directory
40 preCheck = ''
41 rm -r phonopy
42 '';
43
44 pythonImportsCheck = [
45 "phonopy"
46 ];
47
48 meta = with lib; {
49 description = "Modulefor phonon calculations at harmonic and quasi-harmonic levels";
50 homepage = "https://phonopy.github.io/phonopy/";
51 changelog = "https://github.com/phonopy/phonopy/blob/v${version}/doc/changelog.md";
52 license = licenses.bsd0;
53 maintainers = with maintainers; [ psyanticy ];
54 };
55}