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

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{ lib, buildPythonPackage, fetchPypi
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, enum34
, glibcLocales
, matplotlib
, monty
, networkx
, numpy
, palettable
, pandas
, plotly
, pydispatcher
, requests
, ruamel_yaml
, scipy
, six
, spglib
, sympy
, tabulate
, uncertainties
}:
buildPythonPackage rec {
pname = "pymatgen";
version = "2020.12.31";
src = fetchPypi {
inherit pname version;
sha256 = "5002490facd47c55d2dae42c35712e061c1f5d881180485c0543a899589856d6";
};
nativeBuildInputs = [ glibcLocales ];
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propagatedBuildInputs = [
enum34
matplotlib
monty
networkx
numpy
palettable
pandas
plotly
pydispatcher
requests
ruamel_yaml
scipy
six
spglib
sympy
tabulate
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uncertainties
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];
# 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 ];
};
}