CI: test the package as-installed

.github/workflows/ci.yml

@@ -49,11 +49,15 @@ jobs:
         pip install -r requirements.txt
 
     # Note the use of the -Wa flag to show DeprecationWarnings
+    # We test the package as-installed. Pytest is better than unittest at finding
+    # unittest tests when the package is installed.
     - name: Unit tests
       env:
         MATERIALS_PROJECT_API_KEY: ${{ secrets.MATERIALS_PROJECT_API_KEY }}
       run: |
-        python -Wa -m unittest discover --verbose --buffer
+        python setup.py install
+        pip install pytest
+        python -Wa -m pytest --pyargs crystals --ignore=crystals --import-mode=importlib --verbose
     
     - name: Build documentation
       run: |

crystals/tests/test_crystal.py

@@ -1,22 +1,32 @@
 # -*- coding: utf-8 -*-
-import pickle
 import os
+import pickle
 import tempfile
 import unittest
 from copy import copy, deepcopy
+from functools import wraps, lru_cache
 from itertools import islice
 from math import radians
 from pathlib import Path
+import socket
+from contextlib import suppress
 
 import numpy as np
 from crystals import Atom, AtomicStructure, CenteringType, Crystal, Lattice
 from crystals.affine import rotation_matrix, transform, translation_matrix
 from crystals.crystal import symmetry_expansion, symmetry_reduction
-from .utils import retry_test, connection_available
 
 np.random.seed(23)
 
 
+@lru_cache(maxsize=1)
+def connection_available():
+    """ Returns whether or not an internet connection is available """
+    with suppress(OSError), socket.create_connection(("www.google.com", 80)):
+        return True
+    return False
+
+
 class TestSpglibMethods(unittest.TestCase):
     def test_symmetry_graphite(self):
         """ Test that Crystal.symmetry() works correctly for graphite """
@@ -190,6 +200,29 @@ def test_trivial_reindexing(self):
         self.assertEqual(c1, c2)
 
 
+def retry_test(max_retries):
+    """ Retry the decorated test up to `max_retries` times if failure happens. """
+
+    def decorator(test_item):
+        @wraps(test_item)
+        def new_test_item(self, *args, **kwargs):
+            tries = 1
+            while tries < max_retries:
+                try:
+                    r = test_item(self, *args, **kwargs)
+                except self.failureException:
+                    tries += 1
+                else:
+                    return r
+
+            # Final retry.
+            return test_item(self, *args, **kwargs)
+
+        return new_test_item
+
+    return decorator
+
+
 # # The tests below are very flaky. Due to floating-point arithmetic
 # # being non-deterministic, sometimes comparing atoms does not work
 # # and the tests below fail.

crystals/tests/test_parsers.py

@@ -1,21 +1,22 @@
 # -*- coding: utf-8 -*-
 import os
+import socket
 import tempfile
 import unittest
 from collections import Counter, namedtuple
+from contextlib import suppress
+from functools import lru_cache
 from itertools import chain
 from pathlib import Path
 from tempfile import gettempdir
 from warnings import catch_warnings, filterwarnings
-from .utils import connection_available
 
 import numpy as np
-from spglib import get_symmetry_dataset
-
 from crystals import CIFParser, Crystal, MPJParser, PDBParser, frac_coords, is_element
 from crystals.affine import transform
 from crystals.parsers import STRUCTURE_CACHE, PWSCFParser
 from crystals.spg_data import Hall2Number
+from spglib import get_symmetry_dataset
 
 try:
     import Bio.PDB as biopdb
@@ -33,6 +34,14 @@
 filterwarnings("ignore", category=UserWarning)
 
 
+@lru_cache(maxsize=1)
+def connection_available():
+    """ Returns whether or not an internet connection is available """
+    with suppress(OSError), socket.create_connection(("www.google.com", 80)):
+        return True
+    return False
+
+
 @unittest.skipUnless(connection_available(), "Internet connection is required.")
 class TestPDBParser(unittest.TestCase):
     def test_fractional_atoms(self):