pyrox.dev
1{
2 lib,
3 buildPythonPackage,
4 fetchFromGitHub,
5 setuptools,
6 numpy,
7 scipy,
8 spglib,
9 pytestCheckHook,
10}:
11
12buildPythonPackage rec {
13 pname = "symfc";
14 version = "1.5.4";
15 pyproject = true;
16
17 src = fetchFromGitHub {
18 owner = "symfc";
19 repo = "symfc";
20 tag = "v${version}";
21 hash = "sha256-SGFKbOVi5cVw+8trXrSnO0v2obpJBZrj+7yXk7hK+1s=";
22 };
23
24 build-system = [
25 setuptools
26 ];
27
28 dependencies = [
29 numpy
30 scipy
31 spglib
32 ];
33
34 pythonImportsCheck = [
35 "symfc"
36 ];
37
38 nativeCheckInputs = [
39 pytestCheckHook
40 ];
41
42 meta = {
43 description = "Generate symmetrized force constants";
44 homepage = "https://github.com/symfc/symfc";
45 changelog = "https://github.com/symfc/symfc/releases/tag/v${version}";
46 license = lib.licenses.bsd3;
47 maintainers = with lib.maintainers; [ GaetanLepage ];
48 };
49}