pyrox.dev
1{ lib
2, buildPythonPackage
3, fetchFromGitHub
4, numpy
5, scipy
6, pymatgen
7, pytestCheckHook
8}:
9
10buildPythonPackage rec {
11 pname = "castepxbin";
12 version = "0.2.0";
13
14 src = fetchFromGitHub {
15 owner = "zhubonan";
16 repo = "castepxbin";
17 rev = "v${version}";
18 sha256 = "0bqicpdyisbcz8argy4ppm59zzkcn9lcs4y1mh2f31f75x732na3";
19 };
20
21 propagatedBuildInputs = [
22 numpy
23 scipy
24 pymatgen
25 ];
26
27 checkInputs = [
28 pytestCheckHook
29 ];
30
31 meta = with lib; {
32 description = "A collection of readers for CASTEP binary outputs";
33 homepage = "https://github.com/zhubonan/castepxbin";
34 license = licenses.mit;
35 maintainers = with maintainers; [ dotlambda ];
36 };
37}