Gaetan Lepage
992464cb61
Diff: https://github.com/phonopy/phonopy/compare/v2.34.1...v2.37.0 Changelog: http://phonopy.github.io/phonopy/changelog.html
76 lines
1.2 KiB
Nix
76 lines
1.2 KiB
Nix
{
|
|
lib,
|
|
buildPythonPackage,
|
|
fetchFromGitHub,
|
|
|
|
# build-system
|
|
cmake,
|
|
nanobind,
|
|
ninja,
|
|
numpy,
|
|
scikit-build-core,
|
|
setuptools,
|
|
setuptools-scm,
|
|
|
|
# dependencies
|
|
h5py,
|
|
matplotlib,
|
|
pyyaml,
|
|
scipy,
|
|
spglib,
|
|
symfc,
|
|
|
|
pytestCheckHook,
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
pname = "phonopy";
|
|
version = "2.37.0";
|
|
pyproject = true;
|
|
|
|
src = fetchFromGitHub {
|
|
owner = "phonopy";
|
|
repo = "phonopy";
|
|
tag = "v${version}";
|
|
hash = "sha256-Asrgf4sTriEOv4Vovejshl5HXAYQEckxbHvZ7GmSQgg=";
|
|
};
|
|
|
|
build-system = [
|
|
cmake
|
|
nanobind
|
|
ninja
|
|
numpy
|
|
scikit-build-core
|
|
setuptools
|
|
setuptools-scm
|
|
];
|
|
dontUseCmakeConfigure = true;
|
|
|
|
dependencies = [
|
|
h5py
|
|
matplotlib
|
|
numpy
|
|
pyyaml
|
|
scipy
|
|
spglib
|
|
symfc
|
|
];
|
|
|
|
nativeCheckInputs = [ pytestCheckHook ];
|
|
|
|
# prevent pytest from importing local directory
|
|
preCheck = ''
|
|
rm -r phonopy
|
|
'';
|
|
|
|
pythonImportsCheck = [ "phonopy" ];
|
|
|
|
meta = {
|
|
description = "Modulefor phonon calculations at harmonic and quasi-harmonic levels";
|
|
homepage = "https://phonopy.github.io/phonopy/";
|
|
changelog = "http://phonopy.github.io/phonopy/changelog.html";
|
|
license = lib.licenses.bsd0;
|
|
maintainers = with lib.maintainers; [ psyanticy ];
|
|
};
|
|
}
|