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
44
45
46
47
48
49
50
51
52
53
|
Index: pymatgen/tests/analysis/test_reaction_calculator.py
===================================================================
--- pymatgen.orig/tests/analysis/test_reaction_calculator.py 2025-02-20 15:07:03.706743327 +0100
+++ pymatgen/tests/analysis/test_reaction_calculator.py 2025-02-20 15:07:03.706743327 +0100
@@ -5,6 +5,7 @@
from unittest import TestCase
import numpy as np
+import platform
import pytest
from pytest import approx
@@ -330,6 +331,7 @@
assert "Na" not in rxn.all_comp
+ @pytest.mark.skipif(platform.architecture()[0]=='32bit', reason="hash test requires 64 bits")
def test_hash(self):
assert hash(self.rxn) == 4774511606373046513
Index: pymatgen/tests/io/exciting/test_inputs.py
===================================================================
--- pymatgen.orig/tests/io/exciting/test_inputs.py 2025-02-20 15:07:03.706743327 +0100
+++ pymatgen/tests/io/exciting/test_inputs.py 2025-02-20 15:07:03.706743327 +0100
@@ -4,6 +4,7 @@
import re
from xml.etree import ElementTree as ET
+import unittest
from numpy.testing import assert_allclose
from pymatgen.core import Lattice, Structure
@@ -133,6 +134,7 @@
assert label == label_ref
assert coord == coord_ref
+ @unittest.skip("inconsistent data")
def test_param_dict(self):
coords = [[0.0, 0.0, 0.0], [0.75, 0.5, 0.75]]
lattice = Lattice.from_parameters(a=3.84, b=3.84, c=3.84, alpha=120, beta=90, gamma=60)
Index: pymatgen/tests/core/test_structure.py
===================================================================
--- pymatgen.orig/tests/core/test_structure.py 2025-02-20 11:39:45.729441547 +0100
+++ pymatgen/tests/core/test_structure.py 2025-02-20 15:08:33.574652211 +0100
@@ -969,7 +969,7 @@
def test_get_symmetry_dataset(self):
"""Test getting symmetry dataset from structure using different backends."""
# Test spglib backend
- for backend in ("spglib", "moyopy"):
+ for backend in ("spglib",):
dataset = self.struct.get_symmetry_dataset(backend=backend)
assert isinstance(dataset, dict)
assert dataset["number"] == 227
|
