depot/third_party/nixpkgs/pkgs/development/python-modules/phonopy/default.nix
Default email a66bca1520 Project import generated by Copybara.
GitOrigin-RevId: 40f79f003b6377bd2f4ed4027dde1f8f922995dd
2022-12-17 11:02:37 +01:00

55 lines
993 B
Nix

{ lib
, buildPythonPackage
, fetchPypi
, numpy
, pyyaml
, matplotlib
, h5py
, scipy
, spglib
, pytestCheckHook
, pythonOlder
}:
buildPythonPackage rec {
pname = "phonopy";
version = "2.17.0";
format = "setuptools";
disabled = pythonOlder "3.7";
src = fetchPypi {
inherit pname version;
hash = "sha256-bBlNCfq+b73Z/yxIhmP9s2kgjlGz+EKTpI1CnpuqkuU=";
};
propagatedBuildInputs = [
h5py
matplotlib
numpy
pyyaml
scipy
spglib
];
checkInputs = [
pytestCheckHook
];
# prevent pytest from importing local directory
preCheck = ''
rm -r phonopy
'';
pythonImportsCheck = [
"phonopy"
];
meta = with lib; {
description = "Modulefor phonon calculations at harmonic and quasi-harmonic levels";
homepage = "https://phonopy.github.io/phonopy/";
changelog = "https://github.com/phonopy/phonopy/blob/v${version}/doc/changelog.md";
license = licenses.bsd0;
maintainers = with maintainers; [ psyanticy ];
};
}