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nixpkgs/pkgs/development/python-modules/boltztrap2/default.nix

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{ stdenv
, buildPythonPackage
, fetchPypi
, spglib
, numpy
, scipy
, matplotlib
, ase
, netcdf4
, pytest
, pythonOlder
, cython
, cmake
}:
buildPythonPackage rec {
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version = "19.1.1";
pname = "BoltzTraP2";
disabled = pythonOlder "3.5";
src = fetchPypi {
inherit pname version;
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sha256 = "81e8a5ef8240c6a2205463fa7bc643b8033125237927f5492dab0b5d1aadb35a";
};
buildInputs = [ cython cmake ];
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 = https://www.boltztrap.org/;
description = "Band-structure interpolator and transport coefficient calculator";
license = licenses.gpl3;
maintainers = [ maintainers.costrouc ];
};
}