Release v2.7.2

.github/workflows/benchmark-config.json

@@ -43,6 +43,14 @@
             "xAxis": "id",
             "backgroundFill": false,
             "yAxisFormat": "logarithmic"
+        },
+        "large-archive": {
+            "header": "large-archive",
+            "description": "Comparison of import/export of large archives.",
+            "single_chart": true,
+            "xAxis": "id",
+            "backgroundFill": false,
+            "yAxisFormat": "logarithmic"
         }
     }
 }

.github/workflows/test-install.yml

@@ -131,15 +131,6 @@ jobs:
       with:
         channels: conda-forge
 
-    # Use mamba because conda is running out of memory
-    # see https://github.com/conda-incubator/setup-miniconda/issues/274
-    - run: |
-        conda install -n base conda-libmamba-solver
-        conda config --set solver libmamba
-
-    # Temporary workaround: https://github.com/mamba-org/mamba/issues/488
-    - run: rm /usr/share/miniconda/pkgs/cache/*.json
-
     - name: Test installation
       id: test_installation
       continue-on-error: ${{ matrix.optional }}
@@ -153,6 +144,18 @@ jobs:
         echo "::warning ::Failed conda installation for
         Python ${{ matrix.python-version }}."
 
+    - name: Slack notification
+      if: >-
+        failure() &&
+        github.event_name != 'pull_request' &&
+        env.SLACK_WEBHOOK != null
+      uses: ./.github/actions/slack-notification
+      env:
+        SLACK_WEBHOOK: ${{ secrets.SLACK_WEBHOOK }}
+      with:
+        title: Installation via Conda failed on `aiida-core/main`
+        message: '`test-install.yml:install-with-conda` GHA workflow for Python ${{ matrix.python-version }} failed.'
+
   tests:
 
     needs: [install-with-pip]
@@ -210,3 +213,18 @@ jobs:
         AIIDA_WARN_v3: 1
       run: |
         pytest -n auto --db-backend psql -m 'not nightly' tests/
+
+    - name: Slack notification
+      # Run this step if any of the previous steps fail.
+      # Don't run on PRs, the failure is clearly visible in GitHub UI.
+      # Run only when the `secrets.SLACK_WEBHOOK` is available, which is not the case for forks.
+      if: >-
+        failure() &&
+        github.event_name != 'pull_request' &&
+        env.SLACK_WEBHOOK != null
+      uses: ./.github/actions/slack-notification
+      env:
+        SLACK_WEBHOOK: ${{ secrets.SLACK_WEBHOOK }}
+      with:
+        title: Install tests of `aiida-core/main` failed
+        message: '`test-install.yml` GHA workflow for Python ${{ matrix.python-version }} failed.'

CHANGELOG.md

@@ -1,5 +1,42 @@
 # Changelog
 
+## v2.7.2 - 2025-12-10
+
+### Fixes
+
+#### CLI
+- CLI: Fix `verdi code list` for codes without computer (#7081) [[27b52da2f]](https://github.com/aiidateam/aiida-core/commit/27b52da2f6dc948af0fab8e71d7089e532548640)
+- CLI: Fix wrongly formatted `verdi code show` output (#7073) [[32742c0e0]](https://github.com/aiidateam/aiida-core/commit/32742c0e0b60b53b54a42a5dd3b2b04d3449d2de)
+- CLI: Additional logging during `dump` operations (#7046) [[fc00f5dec]](https://github.com/aiidateam/aiida-core/commit/fc00f5deccff2cb030a45f622d5c2cd49f3b0ff6)
+- CLI: Drop non-unique `-n` option for archive import (#7044) [[3a7d440e9]](https://github.com/aiidateam/aiida-core/commit/3a7d440e9086d5127b4705034e8c3bda8c323a60)
+- CLI: Drop non-unique `-p` option for `dump` endpoints (#7043) [[019172c2d]](https://github.com/aiidateam/aiida-core/commit/019172c2d96c6b2761e865e61ba9a09d6cbb6750)
+- CLI: Fix output of `verdi node show` in dump README files (#6971) [[5e4da5b4d]](https://github.com/aiidateam/aiida-core/commit/5e4da5b4dfd00b6ae270e020b8446887b1754230)
+
+#### Storage
+- Fix RST code snippets in QB `smarter_in` docstring (#7146) [[cc0bb483d]](https://github.com/aiidateam/aiida-core/commit/cc0bb483d125c81e893ca085161d275015e1d87f)
+- Fix QB `IN` clause to avoid parameter limits (#6998) [[8d562b44e]](https://github.com/aiidateam/aiida-core/commit/8d562b44ee37bc8ef9840f1806c48702a70b638e)
+- Fix PSQL OperationalError on archive creation by batching (#6993) [[cfbbd687f]](https://github.com/aiidateam/aiida-core/commit/cfbbd687f4e4416a880dce186f9e198fd20c9164)
+- Fix OperationalError for `add_nodes` with PSQL backend (#6991) [[9bccdc816]](https://github.com/aiidateam/aiida-core/commit/9bccdc816e859823f8347c540c6e914b43432d43)
+
+#### Archive
+- Fix `UnboundLocalError` in `ZipfileBackendRepository` (#7129) [[166d06c25]](https://github.com/aiidateam/aiida-core/commit/166d06c2532309aa500a949b757773abb470e5ca)
+- Fix stuck progress bar on "Add nodes" of archive import (#7118) [[4e54cd476]](https://github.com/aiidateam/aiida-core/commit/4e54cd476dd2f089bcb501e9b74ca4b1e8d4f988)
+- Don't break on `sqlite_zip` profile deletion despite original aiida archive file missing (#6929) [[274ce6717]](https://github.com/aiidateam/aiida-core/commit/274ce6717d3e7e184e5e058a4bfeab9cd808604a)
+
+#### Engine
+- Adding ./ in front of a portable code binary (#7080) [[9256f2fdd]](https://github.com/aiidateam/aiida-core/commit/9256f2fddd71abecf1e649065ef7dca5c67d061c)
+- Fix race condition in `JobsList` (#7061) [[e79f0a44c]](https://github.com/aiidateam/aiida-core/commit/e79f0a44c4c816323c24510dfa3462ecd5a9f5ae)
+
+#### Transport
+- async_ssh: Use async semaphore instead of manual locking (#7018) [[ad5cafdb1]](https://github.com/aiidateam/aiida-core/commit/ad5cafdb10ff3889e53c3a7473cadc566b3ecb78)
+
+#### Configuration
+- Fix: use platform-specific separator for AIIDA_PATH in config directory detection (#6935) [[32d515a6b]](https://github.com/aiidateam/aiida-core/commit/32d515a6bd0fef4ae4abe99ed5a288ac438b7096)
+
+### Devops
+- CI: Fix install-with-conda job (#7103) [[0dcd10ac4]](https://github.com/aiidateam/aiida-core/commit/0dcd10ac4a83d65338aeefdf7a158f7a60b15fd2)
+
+
 ## v2.7.1 - 2025-07-16
 
 ### Fixes

docs/source/nitpick-exceptions

@@ -119,8 +119,12 @@ py:obj aiida.engine.processes.functions.N
 py:obj aiida.engine.processes.functions.R_co
 py:class P
 py:class N
+py:class R
+py:class T
 py:class aiida.engine.processes.functions.N
 py:class aiida.engine.processes.functions.R_co
+py:class aiida.common.utils.T
+py:class aiida.common.utils.R
 
 ### third-party packages
 # Note: These exceptions are needed if
@@ -256,9 +260,12 @@ py:class importlib_metadata.EntryPoints
 py:class Command
 
 py:class BooleanClauseList
+py:class ColumnElement
 py:class SQLCompiler
 py:class sqlalchemy.orm.decl_api.Model
 py:class sqlalchemy.sql.elements.ColumnElement
+py:class sqlalchemy.orm.attributes.InstrumentedAttribute
+py:class InstrumentedAttribute
 
 py:class packaging.version.Version
 py:exc seekpath.hpkot.EdgeCaseWarning

src/aiida/__init__.py

@@ -27,7 +27,7 @@
     'For further information please visit http://www.aiida.net/. All rights reserved.'
 )
 __license__ = 'MIT license, see LICENSE.txt file.'
-__version__ = '2.7.1'
+__version__ = '2.7.2'
 __authors__ = 'The AiiDA team.'
 __paper__ = (
     'S. P. Huber et al., "AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and '

src/aiida/cmdline/commands/cmd_archive.py

@@ -24,6 +24,7 @@
 from aiida.common.exceptions import CorruptStorage, IncompatibleStorageSchema, UnreachableStorage
 from aiida.common.links import GraphTraversalRules
 from aiida.common.log import AIIDA_LOGGER
+from aiida.common.utils import DEFAULT_BATCH_SIZE
 
 EXTRAS_MODE_EXISTING = ['keep_existing', 'update_existing', 'mirror', 'none']
 EXTRAS_MODE_NEW = ['import', 'none']
@@ -128,7 +129,11 @@ def inspect(ctx, archive, version, meta_data, database):
 )
 @click.option('--compress', default=6, show_default=True, type=int, help='Level of compression to use (0-9).')
 @click.option(
-    '-b', '--batch-size', default=1000, type=int, help='Stream database rows in batches, to reduce memory usage.'
+    '-b',
+    '--batch-size',
+    default=DEFAULT_BATCH_SIZE,
+    type=int,
+    help='Stream database rows in batches, to reduce memory usage.',
 )
 @click.option(
     '--test-run',
@@ -321,7 +326,6 @@ class ExtrasImportCode(Enum):
     'mirror: import all extras and remove any existing extras that are not present in the archive. ',
 )
 @click.option(
-    '-n',
     '--extras-mode-new',
     type=click.Choice(EXTRAS_MODE_NEW),
     default='import',

src/aiida/cmdline/commands/cmd_code.py

@@ -219,16 +219,48 @@ def code_duplicate(ctx, code, non_interactive, **kwargs):
 def show(code):
     """Display detailed information for a code."""
     from aiida.cmdline import is_verbose
+    from aiida.common.pydantic import get_metadata
 
     table = []
+
+    # These are excluded from the CLI, so we add them manually
     table.append(['PK', code.pk])
     table.append(['UUID', code.uuid])
     table.append(['Type', code.entry_point.name])
-    for key in code.Model.model_fields.keys():
-        try:
-            table.append([key.capitalize().replace('_', ' '), getattr(code, key)])
-        except AttributeError:
+
+    for field_name, field_info in code.Model.model_fields.items():
+        # Skip fields excluded from CLI
+        if get_metadata(
+            field_info,
+            key='exclude_from_cli',
+            default=False,
+        ):
             continue
+
+        # Skip fields that are not stored in the attributes column
+        # NOTE: this also catches e.g., filepath_files for PortableCode, which is actually a "misuse"
+        # of the is_attribute metadata flag, as there it is flagging that the field is not stored at all!
+        # TODO (edan-bainglass) consider improving this by introducing a new metadata flag or reworking PortableCode
+        # TODO see also Dict and InstalledCode for other potential misuses of is_attribute
+        if not get_metadata(
+            field_info,
+            key='is_attribute',
+            default=True,
+        ):
+            continue
+
+        value = getattr(code, field_name)
+
+        # Special handling for computer field to show additional info
+        if field_name == 'computer':
+            value = f'{value.label} ({value.hostname}), pk: {value.pk}'
+
+        # Use the field's title as display name.
+        # This allows for custom titles (class-cased by default from Pydantic).
+        display_name = field_info.title
+
+        table.append([display_name, value])
+
     if is_verbose():
         table.append(['Calculations', len(code.base.links.get_outgoing().all())])
 
@@ -359,7 +391,7 @@ def relabel(code, label):
 )
 @options.ALL(help='Include hidden codes.')
 @options.ALL_USERS(help='Include codes from all users.')
-@options.PROJECT(type=click.Choice(VALID_PROJECTIONS.keys()), default=['full_label', 'pk', 'entry_point'])
+@options.PROJECT(type=click.Choice(list(VALID_PROJECTIONS.keys())), default=['full_label', 'pk', 'entry_point'])
 @options.RAW()
 @click.option('-o', '--show-owner', 'show_owner', is_flag=True, default=False, help='Show owners of codes.')
 @with_dbenv()
@@ -398,19 +430,40 @@ def code_list(computer, default_calc_job_plugin, all_entries, all_users, raw, sh
 
     query = orm.QueryBuilder()
     query.append(orm.Code, tag='code', project=projections.get('code', None), filters=filters.get('code', None))
+    # Above, a join on the computer is appended to project its label. However, this implicitly requires a computer
+    # to be set. If no computer is set for a code node (i.e. for PortableCode), the code would be excluded from the
+    # results. Therefore, later a second query will be run to get all codes without a computer.
     query.append(
         orm.Computer,
         tag='computer',
         with_node='code',
         project=projections.get('computer', None),
-        filters=filters.get('computer', None),
+        filters=filters.get('computer', None),  # Possibly filter on computers, if required on the command line
     )
     query.append(
         orm.User, tag='user', with_node='code', project=projections.get('user', None), filters=filters.get('user', None)
     )
     query.order_by({'code': {'id': 'asc'}})
+    tot_num_results = query.count()
+
+    if computer is None:
+        # Run a second query to get codes without a computer.
+        # This needs to be done only if no explicit filter on a computer is set.
+        query_nocomp = orm.QueryBuilder()
+        code_filters = {'dbcomputer_id': {'==': None}}  # Filter all those without a computer
+        code_filters.update(filters.get('code', {}))
+        query_nocomp.append(orm.Code, tag='code', project=projections.get('code', None), filters=code_filters)
+        query_nocomp.append(
+            orm.User,
+            tag='user',
+            with_node='code',
+            project=projections.get('user', None),
+            filters=filters.get('user', None),
+        )
+        query_nocomp.order_by({'code': {'id': 'asc'}})
+        tot_num_results += query_nocomp.count()
 
-    if not query.count():
+    if tot_num_results == 0:
         echo.echo_report('No codes found matching the specified criteria.')
         return
 
@@ -429,6 +482,44 @@ def code_list(computer, default_calc_job_plugin, all_entries, all_users, raw, sh
                 row.append('@'.join(str(result[entity][projection]) for entity, projection in VALID_PROJECTIONS[key]))
         table.append(row)
 
+    # If there is no computer filter, add also the results from the second query
+    if computer is None:
+        valid_projections_no_computer = {}
+        for k, v in VALID_PROJECTIONS.items():
+            if k != 'computer':
+                valid_projections_no_computer[k] = [_ for _ in v if _[0] != 'computer']
+
+        for result in query_nocomp.iterdict():
+            row = []
+            for key in project:
+                if key == 'entry_point':
+                    node_type = result['code']['node_type']
+                    entry_point = load_node_class(node_type).entry_point
+                    row.append(entry_point.name)
+                else:
+                    row.append(
+                        '@'.join(
+                            str(result[entity][projection]) for entity, projection in valid_projections_no_computer[key]
+                        )
+                    )
+            table.append(row)
+
+    # The `table` list now contains all results, both from the query with computer and the one without.
+    # However, the order might not be correct anymore. Therefore, sort the table based on ascending `full_label`.
+    # If 'full_label' projection is not requested, fallback, on PK, and if that is also not requested,
+    # do not sort.
+    try:
+        index_full_label = headers.index('Full label')  # Note new capitalization after string replacement earlier
+        table.sort(key=lambda x: x[index_full_label])
+    except ValueError:
+        # No 'full_label' in projections: fall back on PK
+        try:
+            index_pk = headers.index('Pk')  # Note capitalization after string replacement earlier
+            table.sort(key=lambda x: x[index_pk])
+        except ValueError:
+            # No 'full_label' nor 'pk' in projections: do not sort
+            pass
+
     echo_tabulate(table, headers=headers, tablefmt=table_format)
 
     if not raw:

src/aiida/cmdline/params/options/main.py

@@ -766,7 +766,6 @@ def set_log_level(ctx, _param, value):
 )
 
 PATH = OverridableOption(
-    '-p',
     '--path',
     type=click.Path(path_type=pathlib.Path),
     show_default=False,

src/aiida/common/pydantic.py

@@ -75,7 +75,7 @@ class Model(BaseModel):
     :param model_to_orm: Optional callable to convert the value of a field from a model instance to an ORM instance.
     :param exclude_to_orm: When set to ``True``, this field value will not be passed to the ORM entity constructor
         through ``Entity.from_model``.
-    :param exclude_to_orm: When set to ``True``, this field value will not be exposed on the CLI command that is
+    :param exclude_from_cli: When set to ``True``, this field value will not be exposed on the CLI command that is
         dynamically generated to create a new instance.
     :param is_attribute: Whether the field is stored as an attribute.
     :param is_subscriptable: Whether the field can be indexed like a list or dictionary.