{ lib, buildPythonPackage, fetchFromGitHub , cython , enum34 , glibcLocales , matplotlib , monty , networkx , numpy , palettable , pandas , plotly , pybtex , pydispatcher , requests , ruamel-yaml , scipy , six , spglib , sympy , tabulate , uncertainties }: buildPythonPackage rec { pname = "pymatgen"; version = "2022.2.7"; # sdist doesn't include c files src = fetchFromGitHub { owner = "materialsproject"; repo = "pymatgen"; rev= "v${version}"; sha256 = "sha256-92Dxmo1Z9LR2caSOftIf1I6jeZmqDe3SqhhoCofWraw="; }; nativeBuildInputs = [ cython glibcLocales ]; propagatedBuildInputs = [ enum34 matplotlib monty networkx numpy palettable pandas plotly pybtex pydispatcher requests ruamel-yaml scipy six spglib sympy tabulate uncertainties ]; # No tests in pypi tarball. doCheck = false; pythonImportsCheck = [ "pymatgen" ]; meta = with lib; { description = "A robust materials analysis code that defines core object representations for structures and molecules"; homepage = "https://pymatgen.org/"; license = licenses.mit; maintainers = with maintainers; [ psyanticy ]; }; }