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{ lib
, buildPythonPackage
, fetchFromGitHub
, pythonOlder
, cython
, h5py
, matplotlib
, numpy
, phonopy
, pymatgen
, scipy
, seekpath
, spglib
, castepxbin
, pytestCheckHook
, colormath
}:
buildPythonPackage rec {
pname = "sumo";
version = "2.3.8";
format = "setuptools";
disabled = pythonOlder "3.8";
src = fetchFromGitHub {
owner = "SMTG-UCL";
repo = "sumo";
rev = "refs/tags/v${version}";
hash = "sha256-nQ5US7maFcOJCqFYeokGiBFp3jhiOPSfCBeclLdHdkk=";
};
nativeBuildInputs = [
cython
];
propagatedBuildInputs = [
castepxbin
colormath
h5py
matplotlib
numpy
phonopy
pymatgen
scipy
seekpath
spglib
];
nativeCheckInputs = [
pytestCheckHook
];
pythonImportsCheck = [
"sumo"
];
meta = with lib; {
description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
homepage = "https://github.com/SMTG-UCL/sumo";
changelog = "https://github.com/SMTG-Bham/sumo/releases/tag/v${version}";
license = licenses.mit;
maintainers = with maintainers; [ psyanticy ];
};
}
|
