46 lines
898 B
Nix
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 ];
|
||
|
|
};
|
||
|
|
}
|