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46 lines
794 B
46 lines
794 B
{ lib
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, buildPythonPackage
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, fetchPypi
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, numpy
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, pyyaml
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, matplotlib
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, h5py
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, scipy
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, spglib
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, pytestCheckHook
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}:
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buildPythonPackage rec {
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pname = "phonopy";
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version = "2.13.1";
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src = fetchPypi {
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inherit pname version;
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sha256 = "sha256-D7pBtcMbxMpt4XJVYDkslRDU4Uyk83AtbIIztUbji6A=";
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};
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propagatedBuildInputs = [
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h5py
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matplotlib
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numpy
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pyyaml
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scipy
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spglib
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];
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checkInputs = [
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pytestCheckHook
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];
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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 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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