nixpkgs/pkgs/development/python-modules/pymatgen/default.nix

{ stdenv, buildPythonPackage, fetchPypi, glibcLocales, numpy, pydispatcher, sympy, requests, monty, ruamel_yaml, six, scipy, tabulate, enum34, matplotlib, palettable, spglib, pandas, networkx }:

buildPythonPackage rec {
  pname = "pymatgen";
  version = "2020.4.29";

  src = fetchPypi {
    inherit pname version;
    sha256 = "cf9c89f2c742acf524f3a778cd269164abf582e87ab5f297cd83802fe00c309d";
  };

  nativeBuildInputs = [ glibcLocales ];
  propagatedBuildInputs = [ numpy pydispatcher sympy requests monty ruamel_yaml six scipy tabulate enum34 matplotlib palettable spglib pandas networkx ];

  # No tests in pypi tarball.
  doCheck = false;

  meta = with stdenv.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 ];
  };
}