{ lib, buildPythonPackage, fetchFromGitHub, isPy27 , h5py , matplotlib , numpy , phonopy , pymatgen , pytest , scipy , seekpath , spglib }: buildPythonPackage rec { pname = "sumo"; version = "2.2.1"; # No tests in Pypi tarball src = fetchFromGitHub { owner = "SMTG-UCL"; repo = "sumo"; rev = "v${version}"; sha256 = "0r88f5w33h9b0mv7shlqc4przwvas5ycgndvl91wqjnm3b2s3ix0"; }; 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 ]; }; }