1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
|
{ 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 = "2020.8.13";
src = fetchPypi {
inherit pname version;
sha256 = "23e5885e15195b37ce4c16ef93f474f741cb98451fa8dd4c319ec121f4887256";
};
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 ];
};
}
|