nixpkgs/pkgs/development/python-modules/phonopy/default.nix
2022-02-13 06:56:17 +00:00

47 lines
794 B
Nix

{ lib
, buildPythonPackage
, fetchPypi
, numpy
, pyyaml
, matplotlib
, h5py
, scipy
, spglib
, pytestCheckHook
}:
buildPythonPackage rec {
pname = "phonopy";
version = "2.13.1";
src = fetchPypi {
inherit pname version;
sha256 = "sha256-D7pBtcMbxMpt4XJVYDkslRDU4Uyk83AtbIIztUbji6A=";
};
propagatedBuildInputs = [
h5py
matplotlib
numpy
pyyaml
scipy
spglib
];
checkInputs = [
pytestCheckHook
];
# prevent pytest from importing local directory
preCheck = ''
rm -r phonopy
'';
meta = with lib; {
description = "A package for phonon calculations at harmonic and quasi-harmonic levels";
homepage = "https://atztogo.github.io/phonopy/";
license = licenses.bsd0;
maintainers = with maintainers; [ psyanticy ];
};
}