Add C4 linting rules

docs/source/internals/includes/snippets/api.py

@@ -20,7 +20,7 @@ def get(self):
         result = query.first()
 
         # Results are returned as a dictionary, datetime objects are serialized as ISO 8601
-        return dict(id=result[0], ctime=result[1].isoformat(), attributes=result[2])
+        return {'id': result[0], 'ctime': result[1].isoformat(), 'attributes': result[2]}
 
 
 class NewApi(AiidaApi):

docs/source/topics/workflows/include/snippets/expose_inputs/run_complex.py

@@ -9,8 +9,8 @@
     result = run(
         ComplexParentWorkChain,
         a=Int(1),
-        child_1=dict(b=Float(1.2), c=Bool(True)),
-        child_2=dict(b=Float(2.3), c=Bool(False)),
+        child_1={'b': Float(1.2), 'c': Bool(True)},
+        child_2={'b': Float(2.3), 'c': Bool(False)},
     )
     print(result)
     # {

pyproject.toml

@@ -499,6 +499,7 @@ ignore = [
   'RUF059'  # Unpacked variable is never used
 ]
 select = [
+  'C4',  # flake8-comprehensions
   'E',  # pydocstyle
   'W',  # pydocstyle
   'F',  # pyflakes

src/aiida/cmdline/commands/cmd_config.py

@@ -239,7 +239,7 @@ def verdi_config_caching(disabled):
 
 
 @verdi_config.command('downgrade')
-@click.argument('version', type=click.Choice(sorted(list({str(m.down_revision) for m in MIGRATIONS}))))
+@click.argument('version', type=click.Choice(sorted({str(m.down_revision) for m in MIGRATIONS})))
 def verdi_config_downgrade(version):
     """Print a configuration, downgraded to a specific version."""
     path = Path(get_config_path())

src/aiida/cmdline/commands/cmd_node.py

@@ -698,7 +698,7 @@ def comment_show(user, nodes):
             comments = [comment for comment in all_comments if comment.user.email == user.email]
 
             if not comments:
-                valid_users = ', '.join(set(comment.user.email for comment in all_comments))
+                valid_users = ', '.join({comment.user.email for comment in all_comments})
                 echo.echo_warning(f'no comments found for user {user}')
                 echo.echo_report(f'valid users found for Node<{node.pk}>: {valid_users}')
 

src/aiida/cmdline/commands/cmd_process.py

@@ -566,7 +566,7 @@ def process_repair(manager, broker, dry_run, force):
     if len(process_tasks) != len(set_process_tasks):
         state_inconsistent = True
         echo.echo_warning('There are duplicates process tasks: ', nl=False)
-        echo.echo(set(x for x in process_tasks if process_tasks.count(x) > 1))
+        echo.echo({x for x in process_tasks if process_tasks.count(x) > 1})
 
     if set_process_tasks.difference(set_active_processes):
         state_inconsistent = True

src/aiida/cmdline/commands/cmd_run.py

@@ -51,9 +51,9 @@ def validate_entry_point_strings(_, __, value):
 
 @verdi.command(
     'run',
-    context_settings=dict(
-        ignore_unknown_options=True,
-    ),
+    context_settings={
+        'ignore_unknown_options': True,
+    },
 )
 @click.argument('filepath', type=click.Path(exists=True, readable=True, dir_okay=False, path_type=pathlib.Path))
 @click.argument('varargs', nargs=-1, type=click.UNPROCESSED)

src/aiida/cmdline/params/types/computer.py

@@ -99,7 +99,7 @@ def convert(self, value: t.Any, param: click.Parameter | None, ctx: click.Contex
             )
 
         # Prepare some substitution values to check if it is all ok
-        subst = {i: 'value' for i in job_resource_keys}
+        subst = dict.fromkeys(job_resource_keys, 'value')
         subst['tot_num_mpiprocs'] = 'value'
 
         try:

src/aiida/common/extendeddicts.py

@@ -109,7 +109,7 @@ class TestExample(FixedFieldsAttributeDict):
             _valid_fields = ('a','b','c')
     """
 
-    _valid_fields: tuple[Any, ...] = tuple()
+    _valid_fields: tuple[Any, ...] = ()
 
     def __init__(self, init: Mapping[str, Any] | None = None):
         if init is None:
@@ -199,7 +199,7 @@ class TestExample(DefaultFieldsAttributeDict):
         See if we want that setting a default field to None means deleting it.
     """
 
-    _default_fields: tuple[str, ...] = tuple()
+    _default_fields: tuple[str, ...] = ()
 
     def validate(self) -> None:
         """Validate the keys, if any ``validate_*`` method is available."""

src/aiida/manage/external/postgres.py

@@ -73,10 +73,10 @@ def from_profile(cls, profile: 'Profile', **kwargs):
         """
         dbinfo = DEFAULT_DBINFO.copy()
         dbinfo.update(
-            dict(
-                host=profile.storage_config['database_hostname'] or DEFAULT_DBINFO['host'],
-                port=profile.storage_config['database_port'] or DEFAULT_DBINFO['port'],
-            )
+            {
+                'host': profile.storage_config['database_hostname'] or DEFAULT_DBINFO['host'],
+                'port': profile.storage_config['database_port'] or DEFAULT_DBINFO['port'],
+            }
         )
 
         return Postgres(dbinfo=dbinfo, **kwargs)

src/aiida/orm/computers.py

@@ -228,7 +228,7 @@ def _mpirun_command_validator(self, mpirun_cmd: list[str] | tuple[str, ...]) ->
         except exceptions.EntryPointError:
             raise exceptions.ValidationError('Unable to load the scheduler for this computer')
 
-        subst = {i: 'value' for i in job_resource_keys}
+        subst = dict.fromkeys(job_resource_keys, 'value')
         subst['tot_num_mpiprocs'] = 'value'
 
         try:

src/aiida/orm/extras.py

@@ -18,7 +18,7 @@
 
 __all__ = ('EntityExtras',)
 
-_NO_DEFAULT: Any = tuple()
+_NO_DEFAULT: Any = ()
 
 
 class EntityExtras:

src/aiida/orm/nodes/attributes.py

@@ -17,7 +17,7 @@
 
 __all__ = ('NodeAttributes',)
 
-_NO_DEFAULT: Any = tuple()
+_NO_DEFAULT: Any = ()
 
 
 class NodeAttributes:

src/aiida/orm/nodes/data/structure.py

@@ -47,7 +47,7 @@ def _get_valid_cell(inputcell):
     :raise ValueError: whenever the format is not valid.
     """
     try:
-        the_cell = list(list(float(c) for c in i) for i in inputcell)
+        the_cell = [[float(c) for c in i] for i in inputcell]
         if len(the_cell) != 3:
             raise ValueError
         if any(len(i) != 3 for i in the_cell):
@@ -969,7 +969,7 @@ def _validate(self):
             if site.kind_name not in [k.name for k in kinds]:
                 raise ValidationError(f'A site has kind {site.kind_name}, but no specie with that name exists')
 
-        kinds_without_sites = set(k.name for k in kinds) - set(s.kind_name for s in sites)
+        kinds_without_sites = {k.name for k in kinds} - {s.kind_name for s in sites}
         if kinds_without_sites:
             raise ValidationError(
                 f'The following kinds are defined, but there are no sites with that kind: {list(kinds_without_sites)}'

src/aiida/orm/nodes/node.py

@@ -200,10 +200,10 @@ def _query_type_string(cls) -> str:  # noqa: N805
 
     # A tuple of attribute names that can be updated even after node is stored
     # Requires Sealable mixin, but needs empty tuple for base class
-    _updatable_attributes: tuple[str, ...] = tuple()
+    _updatable_attributes: tuple[str, ...] = ()
 
     # A tuple of attribute names that will be ignored when creating the hash.
-    _hash_ignored_attributes: tuple[str, ...] = tuple()
+    _hash_ignored_attributes: tuple[str, ...] = ()
 
     # Flag that determines whether the class can be cached.
     _cachable = False

src/aiida/orm/querybuilder.py

@@ -550,18 +550,18 @@ def append(
             path_type = classifiers[0].ormclass_type_string
 
         self._path.append(
-            dict(
-                entity_type=path_type,
-                orm_base=ormclass.value,  # type: ignore[typeddict-item]
-                tag=tag,
+            {
+                'entity_type': path_type,
+                'orm_base': ormclass.value,  # type: ignore[typeddict-item]
+                'tag': tag,
                 # for the first item joining_keyword/joining_value can be None,
                 # but after they always default to 'with_incoming' of the previous item
-                joining_keyword=joining_keyword,  # type: ignore[typeddict-item]
-                joining_value=joining_value,  # type: ignore[typeddict-item]
+                'joining_keyword': joining_keyword,  # type: ignore[typeddict-item]
+                'joining_value': joining_value,  # type: ignore[typeddict-item]
                 # same for edge_tag for which a default is applied
-                edge_tag=edge_tag,  # type: ignore[typeddict-item]
-                outerjoin=outerjoin,
-            )
+                'edge_tag': edge_tag,  # type: ignore[typeddict-item]
+                'outerjoin': outerjoin,
+            }
         )
 
         return self

src/aiida/orm/utils/builders/code.py

@@ -52,7 +52,7 @@ def new(self):
         self.validate()
 
         # Will be used at the end to check if all keys are known (those that are not None)
-        passed_keys = set(k for k in self._code_spec.keys() if self._code_spec[k] is not None)
+        passed_keys = {k for k in self._code_spec.keys() if self._code_spec[k] is not None}
         used = set()
 
         if self._get_and_count('code_type', used) == self.CodeType.STORE_AND_UPLOAD:

src/aiida/orm/utils/calcjob.py

@@ -79,7 +79,7 @@ def get_results(self):
 
     def __dir__(self):
         """Add the keys of the results dictionary such that they can be autocompleted."""
-        return sorted(list(self.get_results().keys()))
+        return sorted(self.get_results().keys())
 
     def __iter__(self):
         """Return an iterator over the keys of the result dictionary."""

src/aiida/plugins/entry_point.py

@@ -324,7 +324,7 @@ def get_entry_point(group: str, name: str) -> EntryPoint:
         raise MissingEntryPointError(f"Entry point '{name}' not found in group '{group}'")
     # If multiple entry points are found and they have different values we raise, otherwise if they all
     # correspond to the same value, we simply return one of them
-    if len(found) > 1 and len(set(ep.value for ep in found)) != 1:
+    if len(found) > 1 and len({ep.value for ep in found}) != 1:
         raise MultipleEntryPointError(f"Multiple entry points '{name}' found in group '{group}': {found}")
     return found[name]
 

src/aiida/restapi/resources.py

@@ -75,15 +75,15 @@ def get(self):
         headers = self.utils.build_headers(url=request.url, total_count=1)
 
         ## Build response and return it
-        data = dict(
-            method=request.method,
-            url=url,
-            url_root=url_root,
-            path=path,
-            query_string=query_string,
-            resource_type='Info',
-            data=response,
-        )
+        data = {
+            'method': request.method,
+            'url': url,
+            'url_root': url_root,
+            'path': path,
+            'query_string': query_string,
+            'resource_type': 'Info',
+            'data': response,
+        }
         return self.utils.build_response(status=200, headers=headers, data=data)
 
 
@@ -210,7 +210,7 @@ def get(self, id=None, page=None):
         if query_type == 'projectable_properties':
             ## Retrieve the projectable properties
             projectable_properties, ordering = self.trans.get_projectable_properties()
-            results = dict(fields=projectable_properties, ordering=ordering)
+            results = {'fields': projectable_properties, 'ordering': ordering}
             ## Build response and return it
             headers = self.utils.build_headers(url=request.url, total_count=1)
 
@@ -234,16 +234,16 @@ def get(self, id=None, page=None):
             results = self.trans.get_results()
 
         ## Build response and return it
-        data = dict(
-            method=request.method,
-            url=url,
-            url_root=url_root,
-            path=request.path,
-            id=node_id,
-            query_string=query_string,
-            resource_type=resource_type,
-            data=results,
-        )
+        data = {
+            'method': request.method,
+            'url': url,
+            'url_root': url_root,
+            'path': request.path,
+            'id': node_id,
+            'query_string': query_string,
+            'resource_type': resource_type,
+            'data': results,
+        }
 
         return self.utils.build_response(status=200, headers=headers, data=data)
 
@@ -459,7 +459,7 @@ def get(self, id=None, page=None):
         if query_type == 'projectable_properties':
             ## Retrieve the projectable properties
             projectable_properties, ordering = self.trans.get_projectable_properties()
-            results = dict(fields=projectable_properties, ordering=ordering)
+            results = {'fields': projectable_properties, 'ordering': ordering}
             ## Build response and return it
             headers = self.utils.build_headers(url=request.url, total_count=1)
 
@@ -567,16 +567,16 @@ def get(self, id=None, page=None):
                         del node[f'extras.{extra!s}']
 
         ## Build response
-        data = dict(
-            method=request.method,
-            url=url,
-            url_root=url_root,
-            path=path,
-            id=node_id,
-            query_string=query_string,
-            resource_type=resource_type,
-            data=results,
-        )
+        data = {
+            'method': request.method,
+            'url': url,
+            'url_root': url_root,
+            'path': path,
+            'id': node_id,
+            'query_string': query_string,
+            'resource_type': resource_type,
+            'data': results,
+        }
 
         return self.utils.build_response(status=200, headers=headers, data=data)
 
@@ -653,19 +653,19 @@ def get(self, id=None, page=None):
         elif query_type == 'projectable_properties':
             ## Retrieve the projectable properties
             projectable_properties, ordering = self.trans.get_projectable_properties()
-            results = dict(fields=projectable_properties, ordering=ordering)
+            results = {'fields': projectable_properties, 'ordering': ordering}
 
         ## Build response
-        data = dict(
-            method=request.method,
-            url=url,
-            url_root=url_root,
-            path=path,
-            id=node_id,
-            query_string=query_string,
-            resource_type=resource_type,
-            data=results,
-        )
+        data = {
+            'method': request.method,
+            'url': url,
+            'url_root': url_root,
+            'path': path,
+            'id': node_id,
+            'query_string': query_string,
+            'resource_type': resource_type,
+            'data': results,
+        }
 
         return self.utils.build_response(status=200, headers=headers, data=data)
 
@@ -719,15 +719,15 @@ def get(self, id=None, page=None):
         headers = self.utils.build_headers(url=request.url, total_count=1)
 
         ## Build response
-        data = dict(
-            method=request.method,
-            url=url,
-            url_root=url_root,
-            path=path,
-            id=node_id,
-            query_string=query_string,
-            resource_type=resource_type,
-            data=results,
-        )
+        data = {
+            'method': request.method,
+            'url': url,
+            'url_root': url_root,
+            'path': path,
+            'id': node_id,
+            'query_string': query_string,
+            'resource_type': resource_type,
+            'data': results,
+        }
 
         return self.utils.build_response(status=200, headers=headers, data=data)

src/aiida/restapi/translator/nodes/data/kpoints.py

@@ -129,7 +129,7 @@ def get_derived_properties(node):
         # kpoints)
         # tab_mesh: whether to include a table with the mesh and offsets
 
-        bool_fields = dict(has_cell=has_cell, has_mesh=has_mesh, has_labels=has_labels)
+        bool_fields = {'has_cell': has_cell, 'has_mesh': has_mesh, 'has_labels': has_labels}
 
         response.update(bool_fields)
 

src/aiida/schedulers/datastructures.py

@@ -76,7 +76,7 @@ class JobResource(DefaultFieldsAttributeDict, metaclass=abc.ABCMeta):
     The init should raise only ValueError or TypeError on invalid parameters.
     """
 
-    _default_fields = tuple()
+    _default_fields: tuple[str, ...] = ()
 
     @classmethod
     @abc.abstractmethod