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