tjh.dev
1{ stdenv
2, buildPythonPackage
3, fetchPypi
4, spglib
5, numpy
6, scipy
7, matplotlib
8, ase
9, netcdf4
10, pytest
11, pythonOlder
12, cython
13, cmake
14}:
15
16buildPythonPackage rec {
17 version = "19.7.3";
18 pname = "BoltzTraP2";
19 disabled = pythonOlder "3.5";
20
21 src = fetchPypi {
22 inherit pname version;
23 sha256 = "1hambr925ml2v2zcxnmnpi39395gl2928yac4p2kghk9xicymraw";
24 };
25
26 dontUseCmakeConfigure = true;
27
28 nativeBuildInputs = [ cmake cython ];
29 checkInputs = [ pytest ];
30 propagatedBuildInputs = [ spglib numpy scipy matplotlib ase netcdf4 ];
31
32 # pypi release does no include files for tests
33 doCheck = false;
34
35 checkPhase = ''
36 py.test
37 '';
38
39 meta = with stdenv.lib; {
40 homepage = https://www.boltztrap.org/;
41 description = "Band-structure interpolator and transport coefficient calculator";
42 license = licenses.gpl3;
43 maintainers = [ maintainers.costrouc ];
44 };
45}