44 lines
1009 B
Nix
44 lines
1009 B
Nix
{ stdenv, buildPythonPackage, fetchPypi, glibcLocales, numpy, pydispatcher, sympy, requests, monty, ruamel_yaml, six, scipy, tabulate, enum34, matplotlib, palettable, spglib, pandas, plotly, networkx }:
|
|
|
|
buildPythonPackage rec {
|
|
pname = "pymatgen";
|
|
version = "2020.4.29";
|
|
|
|
src = fetchPypi {
|
|
inherit pname version;
|
|
sha256 = "cf9c89f2c742acf524f3a778cd269164abf582e87ab5f297cd83802fe00c309d";
|
|
};
|
|
|
|
nativeBuildInputs = [ glibcLocales ];
|
|
|
|
|
|
propagatedBuildInputs = [
|
|
enum34
|
|
matplotlib
|
|
monty
|
|
networkx
|
|
numpy
|
|
palettable
|
|
pandas
|
|
plotly
|
|
pydispatcher
|
|
requests
|
|
ruamel_yaml
|
|
scipy
|
|
six
|
|
spglib
|
|
sympy
|
|
tabulate
|
|
];
|
|
|
|
# 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 ];
|
|
};
|
|
}
|