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 = "19.1.1";
18 pname = "BoltzTraP2";
19 disabled = pythonOlder "3.5";
20
21 src = fetchPypi {
22 inherit pname version;
23 sha256 = "81e8a5ef8240c6a2205463fa7bc643b8033125237927f5492dab0b5d1aadb35a";
24 };
25
26 buildInputs = [ cython cmake ];
27 checkInputs = [ pytest ];
28 propagatedBuildInputs = [ spglib numpy scipy matplotlib ase netcdf4 ];
29
30 # pypi release does no include files for tests
31 doCheck = false;
32
33 checkPhase = ''
34 py.test
35 '';
36
37 meta = with stdenv.lib; {
38 homepage = https://www.boltztrap.org/;
39 description = "Band-structure interpolator and transport coefficient calculator";
40 license = licenses.gpl3;
41 maintainers = [ maintainers.costrouc ];
42 };
43}