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{ 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 ];
};
}
|