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nixpkgs/pkgs/development/python-modules/pymatgen/default.nix
2022-04-01 22:37:18 +02:00

77 lines
1.2 KiB
Nix

{ lib
, buildPythonPackage
, fetchFromGitHub
, cython
, glibcLocales
, matplotlib
, monty
, networkx
, numpy
, palettable
, pandas
, plotly
, pybtex
, pydispatcher
, pythonOlder
, requests
, ruamel-yaml
, scipy
, spglib
, sympy
, tabulate
, uncertainties
}:
buildPythonPackage rec {
pname = "pymatgen";
version = "2022.3.29";
format = "setuptools";
disabled = pythonOlder "3.8";
src = fetchFromGitHub {
owner = "materialsproject";
repo = "pymatgen";
rev= "v${version}";
hash = "sha256-B2piRWx9TfKlGTPOAAGsq2GxyfHIRBVFpk6dxES0WF0=";
};
nativeBuildInputs = [
cython
glibcLocales
];
propagatedBuildInputs = [
matplotlib
monty
networkx
numpy
palettable
pandas
plotly
pybtex
pydispatcher
requests
ruamel-yaml
scipy
spglib
sympy
tabulate
uncertainties
];
# Tests are not detected by pytest
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 ];
};
}