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{ lib
, buildPythonPackage
, fetchPypi
, spglib
, numpy
, scipy
, matplotlib
, ase
, netcdf4
, pytest
, pythonOlder
, cython
, cmake
}:
buildPythonPackage rec {
pname = "boltztrap2";
version = "22.12.1";
format = "setuptools";
disabled = pythonOlder "3.5";
src = fetchPypi {
pname = "BoltzTraP2";
inherit version;
hash = "sha256-gzjWAMUJcF5AyDS1Qx7opVbYewaqGgmFMDGWCh/2Wz4=";
};
dontUseCmakeConfigure = true;
nativeBuildInputs = [
cmake
cython
];
propagatedBuildInputs = [
spglib
numpy
scipy
matplotlib
ase
netcdf4
];
# pypi release does no include files for tests
doCheck = false;
pythonImportsCheck = [
"BoltzTraP2"
];
meta = with lib; {
description = "Band-structure interpolator and transport coefficient calculator";
homepage = "http://www.boltztrap.org/";
license = licenses.gpl3Plus;
maintainers = with maintainers; [ costrouc ];
};
}
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