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{ lib, stdenv, buildPythonPackage, fetchFromGitHub, isPy27
, h5py
, matplotlib
, numpy
, phonopy
, pymatgen
, pytest
, scipy
, seekpath
, spglib
}:
buildPythonPackage rec {
pname = "sumo";
version = "1.0.9";
# No tests in Pypi tarball
src = fetchFromGitHub {
owner = "SMTG-UCL";
repo = "sumo";
rev = "v${version}";
sha256 = "1zw86qp9ycw2k0anw6pzvwgd3zds0z2cwy0s663zhiv9mnb5hx1n";
};
propagatedBuildInputs = [ numpy scipy spglib pymatgen h5py matplotlib seekpath phonopy ];
checkInputs = [ pytest ];
checkPhase = ''
pytest .
'';
# tests have type annotations, can only run on 3.5+
doCheck = (!isPy27);
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 ];
};
}
|