python3Packages.pymatgen: 2022.2.7 -> 2022.3.29

main
Fabian Affolter 2 years ago
parent 0d4b3dc12d
commit e07896c6c4
  1. 24
      pkgs/development/python-modules/pymatgen/default.nix

@ -1,6 +1,7 @@
{ lib, buildPythonPackage, fetchFromGitHub
{ lib
, buildPythonPackage
, fetchFromGitHub
, cython
, enum34
, glibcLocales
, matplotlib
, monty
@ -11,10 +12,10 @@
, plotly
, pybtex
, pydispatcher
, pythonOlder
, requests
, ruamel-yaml
, scipy
, six
, spglib
, sympy
, tabulate
@ -23,14 +24,16 @@
buildPythonPackage rec {
pname = "pymatgen";
version = "2022.2.7";
version = "2022.3.29";
format = "setuptools";
disabled = pythonOlder "3.8";
# sdist doesn't include c files
src = fetchFromGitHub {
owner = "materialsproject";
repo = "pymatgen";
rev= "v${version}";
sha256 = "sha256-92Dxmo1Z9LR2caSOftIf1I6jeZmqDe3SqhhoCofWraw=";
hash = "sha256-B2piRWx9TfKlGTPOAAGsq2GxyfHIRBVFpk6dxES0WF0=";
};
nativeBuildInputs = [
@ -39,7 +42,6 @@ buildPythonPackage rec {
];
propagatedBuildInputs = [
enum34
matplotlib
monty
networkx
@ -52,16 +54,18 @@ buildPythonPackage rec {
requests
ruamel-yaml
scipy
six
spglib
sympy
tabulate
uncertainties
];
# No tests in pypi tarball.
# Tests are not detected by pytest
doCheck = false;
pythonImportsCheck = [ "pymatgen" ];
pythonImportsCheck = [
"pymatgen"
];
meta = with lib; {
description = "A robust materials analysis code that defines core object representations for structures and molecules";

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