tjh.dev
1{
2 lib,
3 buildPythonPackage,
4 fetchFromGitHub,
5 pythonOlder,
6 numpy,
7 future,
8 spglib,
9 glibcLocales,
10 pytest,
11 scipy,
12}:
13
14buildPythonPackage rec {
15 pname = "seekpath";
16 version = "2.0.1";
17 format = "setuptools";
18 disabled = pythonOlder "3.5";
19
20 src = fetchFromGitHub {
21 owner = "giovannipizzi";
22 repo = pname;
23 rev = "v${version}";
24 sha256 = "0x592650ynacmx5n5bilj5lja4iw0gf1nfypy82cmy5z363qhqxn";
25 };
26
27 LC_ALL = "en_US.utf-8";
28
29 # scipy isn't listed in install_requires, but used in package
30 propagatedBuildInputs = [
31 numpy
32 spglib
33 future
34 scipy
35 ];
36
37 nativeBuildInputs = [ glibcLocales ];
38
39 nativeCheckInputs = [ pytest ];
40
41 # I don't know enough about crystal structures to fix
42 checkPhase = ''
43 pytest . -k 'not oI2Y'
44 '';
45
46 meta = with lib; {
47 description = "Module to obtain and visualize band paths in the Brillouin zone of crystal structures";
48 homepage = "https://github.com/giovannipizzi/seekpath";
49 license = licenses.mit;
50 maintainers = with maintainers; [ psyanticy ];
51 };
52}