tjh.dev
1{ stdenv, buildPythonPackage, fetchPypi, glibcLocales, numpy, pydispatcher, sympy, requests, monty, ruamel_yaml, six, scipy, tabulate, enum34, matplotlib, palettable, spglib, pandas, plotly, networkx }:
2
3buildPythonPackage rec {
4 pname = "pymatgen";
5 version = "2020.8.13";
6
7 src = fetchPypi {
8 inherit pname version;
9 sha256 = "23e5885e15195b37ce4c16ef93f474f741cb98451fa8dd4c319ec121f4887256";
10 };
11
12 nativeBuildInputs = [ glibcLocales ];
13
14
15 propagatedBuildInputs = [
16 enum34
17 matplotlib
18 monty
19 networkx
20 numpy
21 palettable
22 pandas
23 plotly
24 pydispatcher
25 requests
26 ruamel_yaml
27 scipy
28 six
29 spglib
30 sympy
31 tabulate
32 ];
33
34 # No tests in pypi tarball.
35 doCheck = false;
36
37 meta = with stdenv.lib; {
38 description = "A robust materials analysis code that defines core object representations for structures and molecules";
39 homepage = "https://pymatgen.org/";
40 license = licenses.mit;
41 maintainers = with maintainers; [ psyanticy ];
42 };
43}