61 lines
1.0 KiB
Nix
61 lines
1.0 KiB
Nix
{ 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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, pythonOlder
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, setuptools
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}:
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buildPythonPackage rec {
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pname = "phonopy";
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version = "2.22.0";
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pyproject = true;
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disabled = pythonOlder "3.7";
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src = fetchPypi {
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inherit pname version;
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hash = "sha256-9opygqCRxKGNQo52cS7BiUYdmknIk9ygubPgpylcy8o=";
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};
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nativeBuildInputs = [
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setuptools
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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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nativeCheckInputs = [
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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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pythonImportsCheck = [
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"phonopy"
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];
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meta = with lib; {
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description = "Modulefor phonon calculations at harmonic and quasi-harmonic levels";
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homepage = "https://phonopy.github.io/phonopy/";
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changelog = "https://github.com/phonopy/phonopy/blob/v${version}/doc/changelog.md";
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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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