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{ lib
, buildPythonPackage
, fetchFromGitHub
, numpy
, scipy
, pymatgen
, pytestCheckHook
}:
buildPythonPackage rec {
pname = "castepxbin";
version = "0.2.0";
src = fetchFromGitHub {
owner = "zhubonan";
repo = "castepxbin";
rev = "v${version}";
sha256 = "0bqicpdyisbcz8argy4ppm59zzkcn9lcs4y1mh2f31f75x732na3";
};
propagatedBuildInputs = [
numpy
scipy
pymatgen
];
checkInputs = [
pytestCheckHook
];
meta = with lib; {
description = "A collection of readers for CASTEP binary outputs";
homepage = "https://github.com/zhubonan/castepxbin";
license = licenses.mit;
maintainers = with maintainers; [ dotlambda ];
};
}
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