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{ lib, buildPythonPackage, fetchFromGitHub
, pythonOlder
, h5py
, matplotlib
, numpy
, phonopy
, pymatgen
, scipy
, seekpath
, spglib
, castepxbin
, pytestCheckHook
}:
buildPythonPackage rec {
pname = "sumo";
version = "2.2.4";
disabled = pythonOlder "3.6";
# No tests in Pypi tarball
src = fetchFromGitHub {
owner = "SMTG-UCL";
repo = "sumo";
rev = "v${version}";
sha256 = "051353gsxmh4qnabshfnc00mmzdbh1fgk1xdfnsfgcnijxgw25bb";
};
propagatedBuildInputs = [
spglib
numpy
scipy
h5py
pymatgen
phonopy
matplotlib
seekpath
castepxbin
];
checkInputs = [ pytestCheckHook ];
meta = with lib; {
description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
homepage = "https://github.com/SMTG-UCL/sumo";
license = licenses.mit;
maintainers = with maintainers; [ psyanticy ];
};
}
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