nixpkgs/pkgs/development/python-modules/boltztrap2/default.nix
2019-12-30 16:46:40 +01:00

46 lines
898 B
Nix

{ stdenv
, buildPythonPackage
, fetchPypi
, spglib
, numpy
, scipy
, matplotlib
, ase
, netcdf4
, pytest
, pythonOlder
, cython
, cmake
}:
buildPythonPackage rec {
version = "19.11.1";
pname = "BoltzTraP2";
disabled = pythonOlder "3.5";
src = fetchPypi {
inherit pname version;
sha256 = "3927ae782b7329dede2bf85ff5ff328c88f0514ecb592267e28912340f395d3e";
};
dontUseCmakeConfigure = true;
nativeBuildInputs = [ cmake cython ];
checkInputs = [ pytest ];
propagatedBuildInputs = [ spglib numpy scipy matplotlib ase netcdf4 ];
# pypi release does no include files for tests
doCheck = false;
checkPhase = ''
py.test
'';
meta = with stdenv.lib; {
homepage = "http://www.boltztrap.org/";
description = "Band-structure interpolator and transport coefficient calculator";
license = licenses.gpl3;
maintainers = [ maintainers.costrouc ];
};
}