tjh.dev
1{ lib
2, buildPythonPackage
3, fetchPypi
4, numpy
5, pyyaml
6, matplotlib
7, h5py
8, spglib
9, pytestCheckHook
10}:
11
12buildPythonPackage rec {
13 pname = "phonopy";
14 version = "2.9.3";
15
16 src = fetchPypi {
17 inherit pname version;
18 sha256 = "389dd33f5bfe35733c8346af6cc43bbd015ccf0efa947eb04b38bd5cb9d0b89b";
19 };
20
21 propagatedBuildInputs = [ numpy pyyaml matplotlib h5py spglib ];
22
23 checkInputs = [ pytestCheckHook ];
24
25 # prevent pytest from importing local directory
26 preCheck = ''
27 rm -r phonopy
28 '';
29
30 meta = with lib; {
31 description = "A package for phonon calculations at harmonic and quasi-harmonic levels";
32 homepage = "https://atztogo.github.io/phonopy/";
33 license = licenses.bsd0;
34 maintainers = with maintainers; [ psyanticy ];
35 };
36}