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{
lib,
buildPythonPackage,
fetchFromGitHub,
setuptools,
spglib,
numpy,
scipy,
h5py,
pymatgen,
phonopy,
matplotlib,
seekpath,
castepxbin,
colormath,
importlib-resources,
pytestCheckHook,
}:
buildPythonPackage rec {
pname = "sumo";
version = "2.3.12";
pyproject = true;
src = fetchFromGitHub {
owner = "SMTG-UCL";
repo = "sumo";
tag = "v${version}";
hash = "sha256-OdoXcdLT/mTkSw/JOrpYjgvUiNLOnBI4avrjrXhzF3U=";
};
build-system = [
setuptools
];
dependencies = [
spglib
numpy
scipy
h5py
pymatgen
phonopy
matplotlib
seekpath
castepxbin
colormath
importlib-resources
];
nativeCheckInputs = [
pytestCheckHook
];
pythonImportsCheck = [ "sumo" ];
meta = {
description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
homepage = "https://github.com/SMTG-UCL/sumo";
changelog = "https://github.com/SMTG-Bham/sumo/releases/tag/${src.tag}";
license = lib.licenses.mit;
maintainers = with lib.maintainers; [ psyanticy ];
};
}
|
