Add support for Python 3.14

.github/workflows/ci-code.yml

@@ -26,7 +26,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ['3.9', '3.13']
+        python-version: ['3.9', '3.14']
         database-backend: [psql]
 
     services:
@@ -72,19 +72,19 @@ jobs:
         AIIDA_TEST_PROFILE: test_aiida
         AIIDA_WARN_v3: 1
       run: |
-        pytest -n auto --db-backend ${{ matrix.database-backend }} -m 'not nightly' tests/ ${{ matrix.python-version == '3.13' && '--cov aiida' || '' }}
+        pytest -n auto --db-backend ${{ matrix.database-backend }} -m 'not nightly' tests/ ${{ matrix.python-version == '3.14' && '--cov aiida' || '' }}
 
     - name: Upload coverage report
-      if: matrix.python-version == 3.13 && github.repository == 'aiidateam/aiida-core'
+      if: matrix.python-version == 3.14 && github.repository == 'aiidateam/aiida-core'
       uses: codecov/codecov-action@v5
       with:
         token: ${{ secrets.CODECOV_TOKEN }}
-        name: aiida-pytests-py3.13
+        name: aiida-pytests-py3.14
         files: ./coverage.xml
         fail_ci_if_error: false  # don't fail job, if coverage upload fails
 
     - name: Upload coverage artifact
-      if: matrix.python-version == '3.13'
+      if: matrix.python-version == '3.14'
       uses: actions/upload-artifact@v6
       with:
         name: coverage
@@ -148,7 +148,7 @@ jobs:
     - name: Install aiida-core
       uses: ./.github/actions/install-aiida-core
       with:
-        python-version: '3.13'
+        python-version: '3.14'
 
     - name: Setup SSH on localhost
       run: .github/workflows/setup_ssh.sh
@@ -170,7 +170,7 @@ jobs:
     - name: Install aiida-core
       uses: ./.github/actions/install-aiida-core
       with:
-        python-version: '3.13'
+        python-version: '3.14'
         from-lock: 'true'
         extras: ''
 

.github/workflows/test-install.yml

@@ -111,7 +111,7 @@ jobs:
       fail-fast: false
       matrix:
 
-        python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']
+        python-version: ['3.9', '3.10', '3.11', '3.12', '3.13', '3.14']
 
         # Not being able to install with conda on a specific Python version is
         # not sufficient to fail the run, but something we want to be aware of.
@@ -165,7 +165,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']
+        python-version: ['3.9', '3.10', '3.11', '3.12', '3.13', '3.14']
 
     services:
       postgres:

environment.yml

@@ -8,7 +8,7 @@ dependencies:
 - python~=3.9
 - alembic~=1.8
 - archive-path~=0.4.2
-- asyncssh~=2.19.0
+- asyncssh~=2.21.0
 - circus~=0.19.0
 - click-spinner~=0.1.8
 - click<8.3,>=8.1.0

pyproject.toml

@@ -31,7 +31,7 @@ classifiers = [
 dependencies = [
   'alembic~=1.8',
   'archive-path~=0.4.2',
-  "asyncssh~=2.19.0",
+  "asyncssh~=2.21.0",
   'circus~=0.19.0',
   'click-spinner~=0.1.8',
   'click>=8.1.0,<8.3',

src/aiida/common/__init__.py

@@ -22,6 +22,7 @@
 from .links import *
 from .log import *
 from .progress_reporter import *
+from .utils import *
 
 __all__ = (
     'AIIDA_LOGGER',
@@ -87,6 +88,7 @@
     'override_log_level',
     'set_progress_bar_tqdm',
     'set_progress_reporter',
+    'url2pathname',
     'validate_link_label',
 )
 

src/aiida/common/utils.py

@@ -10,6 +10,8 @@
 
 from __future__ import annotations
 
+__all__ = ('url2pathname',)
+
 import filecmp
 import inspect
 import io
@@ -659,3 +661,25 @@ def batch_iter(
 # balance between memory efficiency and database round-trip overhead. Setting it too low increases
 # the number of database queries needed, while setting it too high increases memory consumption.
 DEFAULT_BATCH_SIZE: int = 1000
+
+# To obtain pre py3.14 behavior of url2pathname we copied the code to here
+# https://github.com/python/cpython/blob/1a2b0fb3e5eac4e767e6bbb0b2c3cedaedafc07b/Lib/urllib/request.py#L1664-L1679
+# Only minor changes were applied to conform with mypy
+if os.name == 'nt':
+    from nturl2path import url2pathname
+else:
+    from urllib.parse import unquote
+
+    def url2pathname(url: str) -> str:
+        """OS-specific conversion from a relative URL of the 'file' scheme
+        to a file system path; not recommended for general use."""
+        if url[:3] == '///':
+            # URL has an empty authority section, so the path begins on the
+            # third character.
+            url = url[2:]
+        elif url[:12] == '//localhost/':
+            # Skip past 'localhost' authority.
+            url = url[11:]
+        encoding = sys.getfilesystemencoding()
+        errors = sys.getfilesystemencodeerrors()
+        return unquote(url, encoding=encoding, errors=errors)

src/aiida/manage/configuration/profile.py

@@ -214,8 +214,8 @@ def repository_path(self) -> pathlib.Path:
         :return: absolute filepath of the profile's file repository
         """
         from urllib.parse import urlparse
-        from urllib.request import url2pathname
 
+        from aiida.common.utils import url2pathname
         from aiida.common.warnings import warn_deprecation
 
         warn_deprecation('This method has been deprecated', version=3)

src/aiida/storage/psql_dos/backend.py

@@ -50,7 +50,8 @@
 def get_filepath_container(profile: Profile) -> pathlib.Path:
     """Return the filepath of the disk-object store container."""
     from urllib.parse import urlparse
-    from urllib.request import url2pathname
+
+    from aiida.common.utils import url2pathname
 
     try:
         parts = urlparse(profile.storage_config['repository_uri'])

tests/orm/test_fields.py

@@ -8,6 +8,8 @@
 ###########################################################################
 """Test for entity fields"""
 
+import sys
+
 import pytest
 from importlib_metadata import entry_points
 
@@ -18,7 +20,16 @@
 
 EPS = entry_points()
 
+# These regression tests compare ``repr()`` output of field objects against YAML reference
+# files. Since ``repr()`` of ``typing`` generics is not stable across Python versions
+# (e.g. Python 3.14 renders ``typing.Dict`` as ``dict`` and ``typing.Optional[X]`` as
+# ``X | None``), the reference files are only valid for the Python version they were
+# generated with. Rather than maintaining two sets of reference files, we skip on
+# Python versions that don't match.
+skip_below_py314 = pytest.mark.skipif(sys.version_info < (3, 14), reason='typing repr fixtures require Python >=3.14.0')
+
 
+@skip_below_py314
 @pytest.mark.parametrize(
     'entity_cls',
     (orm.AuthInfo, orm.Comment, orm.Computer, orm.Group, orm.Log, orm.User),
@@ -40,6 +51,7 @@ def node_and_data_entry_points() -> list[tuple[str, str]]:
     return _eps
 
 
+@skip_below_py314
 def test_all_node_fields(node_and_data_entry_points: list[tuple[str, str]], data_regression):
     """Test that all the node fields are correctly registered."""
     for group, name in node_and_data_entry_points:

tests/orm/test_fields/fields_AuthInfo.yml

@@ -2,5 +2,5 @@ auth_params: QbDictField('auth_params', dtype=typing.Dict[str, typing.Any], is_a
 computer: QbNumericField('computer', dtype=<class 'int'>, is_attribute=False)
 enabled: QbField('enabled', dtype=<class 'bool'>, is_attribute=False)
 metadata: QbDictField('metadata', dtype=typing.Dict[str, typing.Any], is_attribute=False)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)
 user: QbNumericField('user', dtype=<class 'int'>, is_attribute=False)

tests/orm/test_fields/fields_Comment.yml

@@ -1,7 +1,7 @@
 content: QbStrField('content', dtype=<class 'str'>, is_attribute=False)
-ctime: QbNumericField('ctime', dtype=typing.Optional[datetime.datetime], is_attribute=False)
-mtime: QbNumericField('mtime', dtype=typing.Optional[datetime.datetime], is_attribute=False)
+ctime: QbNumericField('ctime', dtype=datetime.datetime | None, is_attribute=False)
+mtime: QbNumericField('mtime', dtype=datetime.datetime | None, is_attribute=False)
 node: QbNumericField('node', dtype=<class 'int'>, is_attribute=False)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)
 user: QbNumericField('user', dtype=<class 'int'>, is_attribute=False)
-uuid: QbStrField('uuid', dtype=typing.Optional[str], is_attribute=False)
+uuid: QbStrField('uuid', dtype=str | None, is_attribute=False)

tests/orm/test_fields/fields_Computer.yml

@@ -2,7 +2,7 @@ description: QbStrField('description', dtype=<class 'str'>, is_attribute=False)
 hostname: QbStrField('hostname', dtype=<class 'str'>, is_attribute=False)
 label: QbStrField('label', dtype=<class 'str'>, is_attribute=False)
 metadata: QbDictField('metadata', dtype=typing.Dict[str, typing.Any], is_attribute=False)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)
 scheduler_type: QbStrField('scheduler_type', dtype=<class 'str'>, is_attribute=False)
 transport_type: QbStrField('transport_type', dtype=<class 'str'>, is_attribute=False)
 uuid: QbStrField('uuid', dtype=<class 'str'>, is_attribute=False)

tests/orm/test_fields/fields_Group.yml

@@ -1,9 +1,9 @@
-description: QbStrField('description', dtype=typing.Optional[str], is_attribute=False)
-extras: QbDictField('extras', dtype=typing.Optional[typing.Dict[str, typing.Any]],
-  is_attribute=False, is_subscriptable=True)
+description: QbStrField('description', dtype=str | None, is_attribute=False)
+extras: QbDictField('extras', dtype=typing.Dict[str, typing.Any] | None, is_attribute=False,
+  is_subscriptable=True)
 label: QbStrField('label', dtype=<class 'str'>, is_attribute=False)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
-time: QbNumericField('time', dtype=typing.Optional[datetime.datetime], is_attribute=False)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)
+time: QbNumericField('time', dtype=datetime.datetime | None, is_attribute=False)
 type_string: QbStrField('type_string', dtype=<class 'str'>, is_attribute=False)
 user: QbNumericField('user', dtype=<class 'int'>, is_attribute=False)
 uuid: QbStrField('uuid', dtype=<class 'str'>, is_attribute=False)

tests/orm/test_fields/fields_Log.yml

@@ -3,6 +3,6 @@ levelname: QbStrField('levelname', dtype=<class 'str'>, is_attribute=False)
 loggername: QbStrField('loggername', dtype=<class 'str'>, is_attribute=False)
 message: QbStrField('message', dtype=<class 'str'>, is_attribute=False)
 metadata: QbDictField('metadata', dtype=typing.Dict[str, typing.Any], is_attribute=False)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)
 time: QbNumericField('time', dtype=<class 'datetime.datetime'>, is_attribute=False)
 uuid: QbStrField('uuid', dtype=<class 'str'>, is_attribute=False)

tests/orm/test_fields/fields_User.yml

@@ -2,4 +2,4 @@ email: QbStrField('email', dtype=<class 'str'>, is_attribute=False)
 first_name: QbStrField('first_name', dtype=<class 'str'>, is_attribute=False)
 institution: QbStrField('institution', dtype=<class 'str'>, is_attribute=False)
 last_name: QbStrField('last_name', dtype=<class 'str'>, is_attribute=False)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)

tests/orm/test_fields/fields_aiida.data.core.array.ArrayData.yml

@@ -1,20 +1,20 @@
-arrays: QbDictField('arrays', dtype=typing.Optional[dict[str, bytes]], is_attribute=True)
-attributes: QbDictField('attributes', dtype=typing.Optional[typing.Dict[str, typing.Any]],
-  is_attribute=False, is_subscriptable=True)
-computer: QbNumericField('computer', dtype=typing.Optional[int], is_attribute=False)
-ctime: QbNumericField('ctime', dtype=typing.Optional[datetime.datetime], is_attribute=False)
-description: QbStrField('description', dtype=typing.Optional[str], is_attribute=False)
-extras: QbDictField('extras', dtype=typing.Optional[typing.Dict[str, typing.Any]],
-  is_attribute=False, is_subscriptable=True)
-label: QbStrField('label', dtype=typing.Optional[str], is_attribute=False)
-mtime: QbNumericField('mtime', dtype=typing.Optional[datetime.datetime], is_attribute=False)
-node_type: QbStrField('node_type', dtype=typing.Optional[str], is_attribute=False)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
-process_type: QbStrField('process_type', dtype=typing.Optional[str], is_attribute=False)
-repository_content: QbDictField('repository_content', dtype=typing.Optional[dict[str,
-  bytes]], is_attribute=False)
-repository_metadata: QbDictField('repository_metadata', dtype=typing.Optional[typing.Dict[str,
-  typing.Any]], is_attribute=False)
-source: QbDictField('source', dtype=typing.Optional[dict], is_attribute=True, is_subscriptable=True)
-user: QbNumericField('user', dtype=typing.Optional[int], is_attribute=False)
-uuid: QbStrField('uuid', dtype=typing.Optional[str], is_attribute=False)
+arrays: QbDictField('arrays', dtype=dict[str, bytes] | None, is_attribute=True)
+attributes: QbDictField('attributes', dtype=typing.Dict[str, typing.Any] | None, is_attribute=False,
+  is_subscriptable=True)
+computer: QbNumericField('computer', dtype=int | None, is_attribute=False)
+ctime: QbNumericField('ctime', dtype=datetime.datetime | None, is_attribute=False)
+description: QbStrField('description', dtype=str | None, is_attribute=False)
+extras: QbDictField('extras', dtype=typing.Dict[str, typing.Any] | None, is_attribute=False,
+  is_subscriptable=True)
+label: QbStrField('label', dtype=str | None, is_attribute=False)
+mtime: QbNumericField('mtime', dtype=datetime.datetime | None, is_attribute=False)
+node_type: QbStrField('node_type', dtype=str | None, is_attribute=False)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)
+process_type: QbStrField('process_type', dtype=str | None, is_attribute=False)
+repository_content: QbDictField('repository_content', dtype=dict[str, bytes] | None,
+  is_attribute=False)
+repository_metadata: QbDictField('repository_metadata', dtype=typing.Dict[str, typing.Any]
+  | None, is_attribute=False)
+source: QbDictField('source', dtype=dict | None, is_attribute=True, is_subscriptable=True)
+user: QbNumericField('user', dtype=int | None, is_attribute=False)
+uuid: QbStrField('uuid', dtype=str | None, is_attribute=False)

tests/orm/test_fields/fields_aiida.data.core.array.bands.BandsData.yml

@@ -1,31 +1,30 @@
-array_labels: QbArrayField('array_labels', dtype=typing.Optional[typing.List[str]],
-  is_attribute=True)
-arrays: QbDictField('arrays', dtype=typing.Optional[dict[str, bytes]], is_attribute=True)
-attributes: QbDictField('attributes', dtype=typing.Optional[typing.Dict[str, typing.Any]],
-  is_attribute=False, is_subscriptable=True)
+array_labels: QbArrayField('array_labels', dtype=typing.List[str] | None, is_attribute=True)
+arrays: QbDictField('arrays', dtype=dict[str, bytes] | None, is_attribute=True)
+attributes: QbDictField('attributes', dtype=typing.Dict[str, typing.Any] | None, is_attribute=False,
+  is_subscriptable=True)
 cell: QbArrayField('cell', dtype=typing.List[typing.List[float]], is_attribute=True)
-computer: QbNumericField('computer', dtype=typing.Optional[int], is_attribute=False)
-ctime: QbNumericField('ctime', dtype=typing.Optional[datetime.datetime], is_attribute=False)
-description: QbStrField('description', dtype=typing.Optional[str], is_attribute=False)
-extras: QbDictField('extras', dtype=typing.Optional[typing.Dict[str, typing.Any]],
-  is_attribute=False, is_subscriptable=True)
-label: QbStrField('label', dtype=typing.Optional[str], is_attribute=False)
+computer: QbNumericField('computer', dtype=int | None, is_attribute=False)
+ctime: QbNumericField('ctime', dtype=datetime.datetime | None, is_attribute=False)
+description: QbStrField('description', dtype=str | None, is_attribute=False)
+extras: QbDictField('extras', dtype=typing.Dict[str, typing.Any] | None, is_attribute=False,
+  is_subscriptable=True)
+label: QbStrField('label', dtype=str | None, is_attribute=False)
 label_numbers: QbArrayField('label_numbers', dtype=typing.List[int], is_attribute=True)
 labels: QbArrayField('labels', dtype=typing.List[str], is_attribute=True)
 mesh: QbArrayField('mesh', dtype=typing.List[int], is_attribute=True)
-mtime: QbNumericField('mtime', dtype=typing.Optional[datetime.datetime], is_attribute=False)
-node_type: QbStrField('node_type', dtype=typing.Optional[str], is_attribute=False)
+mtime: QbNumericField('mtime', dtype=datetime.datetime | None, is_attribute=False)
+node_type: QbStrField('node_type', dtype=str | None, is_attribute=False)
 offset: QbArrayField('offset', dtype=typing.List[float], is_attribute=True)
 pbc1: QbField('pbc1', dtype=<class 'bool'>, is_attribute=True)
 pbc2: QbField('pbc2', dtype=<class 'bool'>, is_attribute=True)
 pbc3: QbField('pbc3', dtype=<class 'bool'>, is_attribute=True)
-pk: QbNumericField('pk', dtype=typing.Optional[int], is_attribute=False)
-process_type: QbStrField('process_type', dtype=typing.Optional[str], is_attribute=False)
-repository_content: QbDictField('repository_content', dtype=typing.Optional[dict[str,
-  bytes]], is_attribute=False)
-repository_metadata: QbDictField('repository_metadata', dtype=typing.Optional[typing.Dict[str,
-  typing.Any]], is_attribute=False)
-source: QbDictField('source', dtype=typing.Optional[dict], is_attribute=True, is_subscriptable=True)
+pk: QbNumericField('pk', dtype=int | None, is_attribute=False)
+process_type: QbStrField('process_type', dtype=str | None, is_attribute=False)
+repository_content: QbDictField('repository_content', dtype=dict[str, bytes] | None,
+  is_attribute=False)
+repository_metadata: QbDictField('repository_metadata', dtype=typing.Dict[str, typing.Any]
+  | None, is_attribute=False)
+source: QbDictField('source', dtype=dict | None, is_attribute=True, is_subscriptable=True)
 units: QbStrField('units', dtype=<class 'str'>, is_attribute=True)
-user: QbNumericField('user', dtype=typing.Optional[int], is_attribute=False)
-uuid: QbStrField('uuid', dtype=typing.Optional[str], is_attribute=False)
+user: QbNumericField('user', dtype=int | None, is_attribute=False)
+uuid: QbStrField('uuid', dtype=str | None, is_attribute=False)