1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
|
{ 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 = "2019.12.22";
src = fetchPypi {
inherit pname version;
sha256 = "0ffc6efcc2ba15bff22cca29c07b93b01fac400f649c41d5dd01bfff7915f80b";
};
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 ];
};
}
|
