pyrox.dev
1{
2 lib,
3 buildPythonPackage,
4 fetchPypi,
5 spglib,
6 numpy,
7 scipy,
8 matplotlib,
9 ase,
10 netcdf4,
11 pytest,
12 pythonOlder,
13 cython,
14 cmake,
15}:
16
17buildPythonPackage rec {
18 pname = "boltztrap2";
19 version = "24.1.1";
20 format = "setuptools";
21
22 disabled = pythonOlder "3.5";
23
24 src = fetchPypi {
25 pname = "BoltzTraP2";
26 inherit version;
27 hash = "sha256-kgv4lPBxcBmRKihaTwPRz8bHTWAWUOGZADtJUb3y+C4=";
28 };
29
30 dontUseCmakeConfigure = true;
31
32 nativeBuildInputs = [
33 cmake
34 cython
35 ];
36
37 propagatedBuildInputs = [
38 spglib
39 numpy
40 scipy
41 matplotlib
42 ase
43 netcdf4
44 ];
45
46 # pypi release does no include files for tests
47 doCheck = false;
48
49 pythonImportsCheck = [ "BoltzTraP2" ];
50
51 meta = with lib; {
52 description = "Band-structure interpolator and transport coefficient calculator";
53 mainProgram = "btp2";
54 homepage = "http://www.boltztrap.org/";
55 license = licenses.gpl3Plus;
56 maintainers = with maintainers; [ ];
57 };
58}