pyrox.dev
1{ lib
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 pname = "boltztrap2";
18 version = "22.6.1";
19 format = "setuptools";
20
21 disabled = pythonOlder "3.5";
22
23 src = fetchPypi {
24 pname = "BoltzTraP2";
25 inherit version;
26 hash = "sha256-zEKRsNg5P+KKQCeB49TiiSXRmusvr1zwssHhppZdkfA=";
27 };
28
29 dontUseCmakeConfigure = true;
30
31 nativeBuildInputs = [
32 cmake
33 cython
34 ];
35
36 propagatedBuildInputs = [
37 spglib
38 numpy
39 scipy
40 matplotlib
41 ase
42 netcdf4
43 ];
44
45 # pypi release does no include files for tests
46 doCheck = false;
47
48 pythonImportsCheck = [
49 "BoltzTraP2"
50 ];
51
52 meta = with lib; {
53 description = "Band-structure interpolator and transport coefficient calculator";
54 homepage = "http://www.boltztrap.org/";
55 license = licenses.gpl3Plus;
56 maintainers = with maintainers; [ costrouc ];
57 };
58}