29 lines
849 B
Nix
29 lines
849 B
Nix
{ stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py, spglib, pytestCheckHook }:
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buildPythonPackage rec {
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pname = "phonopy";
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version = "2.8.1";
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src = fetchPypi {
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inherit pname version;
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sha256 = "28864b04adb900597705f1367a100da869af835088bdd13f1693c4382259f128";
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};
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propagatedBuildInputs = [ numpy pyyaml matplotlib h5py spglib ];
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checkInputs = [ pytestCheckHook ];
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# flakey due to floating point inaccuracy
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disabledTests = [ "test_NaCl" ];
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# prevent pytest from importing local directory
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preCheck = ''
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rm -r phonopy
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'';
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meta = with stdenv.lib; {
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description = "A package for phonon calculations at harmonic and quasi-harmonic levels";
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homepage = "https://atztogo.github.io/phonopy/";
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license = licenses.bsd0;
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maintainers = with maintainers; [ psyanticy ];
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};
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}
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