pyrox.dev
1{ stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py }:
2
3buildPythonPackage rec {
4 pname = "phonopy";
5 version = "1.13.2.107";
6
7 src = fetchPypi {
8 inherit pname version;
9 sha256 = "72f06728c98b9a7ab3db2d6fa2ae5d029029fbcff4e8fcfbc29f1e2620a0f905";
10 };
11
12 propagatedBuildInputs = [ numpy pyyaml matplotlib h5py ];
13
14 checkPhase = ''
15 cd test/phonopy
16 ${python.interpreter} -m unittest discover -b
17 cd ../..
18 '';
19
20 meta = with stdenv.lib; {
21 description = "A package for phonon calculations at harmonic and quasi-harmonic levels";
22 homepage = https://atztogo.github.io/phonopy/;
23 license = licenses.bsd0;
24 maintainers = with maintainers; [ psyanticy ];
25 };
26}
27