tjh.dev
1{ stdenv, buildPythonPackage, fetchPypi, fetchpatch, numpy, nose, pyyaml }:
2
3buildPythonPackage rec {
4 pname = "spglib";
5 version = "1.12.2.post0";
6
7 src = fetchPypi {
8 inherit pname version;
9 sha256 = "15b02b74c0f06179bc3650c43a710a5200abbba387c6eda3105bfd9236041443";
10 };
11
12 patches = [
13 (fetchpatch {
14 name = "fix-assertions.patch";
15 url = https://github.com/atztogo/spglib/commit/d57070831585a6f02dec0a31d25b375ba347798c.patch;
16 stripLen = 1;
17 sha256 = "0crmkc498rbrawiy9zbl39qis2nmsbfr4s6kk6k3zhdy8z2ppxw7";
18 })
19 ];
20
21 propagatedBuildInputs = [ numpy ];
22
23 checkInputs = [ nose pyyaml ];
24
25 meta = with stdenv.lib; {
26 description = "Python bindings for C library for finding and handling crystal symmetries";
27 homepage = https://atztogo.github.io/spglib;
28 license = licenses.bsd3;
29 maintainers = with maintainers; [ psyanticy ];
30 };
31}
32