tjh.dev
1{ stdenv, buildPythonPackage, fetchPypi, glibcLocales, numpy, pydispatcher, sympy, requests, monty, ruamel_yaml, six, scipy, tabulate, enum34, matplotlib, palettable, spglib, pandas, networkx }:
2
3buildPythonPackage rec {
4 pname = "pymatgen";
5 version = "2019.12.22";
6
7 src = fetchPypi {
8 inherit pname version;
9 sha256 = "0ffc6efcc2ba15bff22cca29c07b93b01fac400f649c41d5dd01bfff7915f80b";
10 };
11
12 nativeBuildInputs = [ glibcLocales ];
13 propagatedBuildInputs = [ numpy pydispatcher sympy requests monty ruamel_yaml six scipy tabulate enum34 matplotlib palettable spglib pandas networkx ];
14
15 # No tests in pypi tarball.
16 doCheck = false;
17
18 meta = with stdenv.lib; {
19 description = "A robust materials analysis code that defines core object representations for structures and molecules";
20 homepage = https://pymatgen.org/;
21 license = licenses.mit;
22 maintainers = with maintainers; [ psyanticy ];
23 };
24}