DevOps: Update requirement pylint~=2.17.4 (#6054)

.github/system_tests/workchains.py

@@ -72,7 +72,7 @@ def disabled_handler(self, node):  # pylint: disable=unused-argument
         return ProcessHandlerReport(True, self.exit_codes.ERROR_ENABLED_DOOM)  # pylint: disable=no-member
 
     @process_handler(priority=450, exit_codes=ExitCode(1000, 'Unicorn encountered'))
-    def a_magic_unicorn_appeared(self, node):  # pylint: disable=no-self-argument,no-self-use
+    def a_magic_unicorn_appeared(self, node):  # pylint: disable=no-self-argument
         """As we all know unicorns do not exist so we should never have to deal with it."""
         raise RuntimeError('this handler should never even have been called')
 

.molecule/default/files/polish/lib/expression.py

@@ -87,7 +87,7 @@ def validate(expression):
         except ValueError:
             return False, f'the operand {operand} is not a valid integer'
 
-        if operator not in OPERATORS.keys():
+        if operator not in OPERATORS:
             return False, f'the operator {operator} is not supported'
 
         if OPERATORS[operator] is operators.pow and operand < 0:
@@ -119,7 +119,7 @@ def evaluate(expression, modulo=None):
     result = 0
 
     for part in expression.split():
-        if part not in OPERATORS.keys():
+        if part not in OPERATORS:
             stack.appendleft(part)
         else:
             operator = OPERATORS[part]

.molecule/default/files/polish/lib/workchain.py

@@ -83,7 +83,7 @@ def generate_outlines(expression):
 
     for part in expression.split():
 
-        if part not in OPERATORS.keys():
+        if part not in OPERATORS:
             stack.appendleft(part)
             values.append(part)
         else:
@@ -222,7 +222,7 @@ def write_workchain(outlines, directory=None) -> Path:
 
         outline_string = ''
         for subline in outline.split('\n'):
-            outline_string += f'\t\t\t{subline}\n'
+            outline_string += f'\t\t\t{subline}\n'  # pylint: disable=consider-using-join
 
         if counter == len(outlines) - 1:
             child_class = None

aiida/cmdline/commands/cmd_archive.py

@@ -189,7 +189,7 @@ def create(
     }
 
     if AIIDA_LOGGER.level <= logging.REPORT:  # pylint: disable=no-member
-        set_progress_bar_tqdm(leave=(AIIDA_LOGGER.level <= logging.INFO))
+        set_progress_bar_tqdm(leave=AIIDA_LOGGER.level <= logging.INFO)
     else:
         set_progress_reporter(None)
 
@@ -232,7 +232,7 @@ def migrate(input_file, output_file, force, in_place, version):
         )
 
     if AIIDA_LOGGER.level <= logging.REPORT:  # pylint: disable=no-member
-        set_progress_bar_tqdm(leave=(AIIDA_LOGGER.level <= logging.INFO))
+        set_progress_bar_tqdm(leave=AIIDA_LOGGER.level <= logging.INFO)
     else:
         set_progress_reporter(None)
 
@@ -344,7 +344,7 @@ def import_archive(
     from aiida.common.progress_reporter import set_progress_bar_tqdm, set_progress_reporter
 
     if AIIDA_LOGGER.level <= logging.REPORT:  # pylint: disable=no-member
-        set_progress_bar_tqdm(leave=(AIIDA_LOGGER.level <= logging.INFO))
+        set_progress_bar_tqdm(leave=AIIDA_LOGGER.level <= logging.INFO)
     else:
         set_progress_reporter(None)
 

aiida/cmdline/commands/cmd_calcjob.py

@@ -286,7 +286,7 @@ def calcjob_cleanworkdir(calcjobs, past_days, older_than, computers, force, exit
         echo.echo_critical('no calcjobs found with the given criteria')
 
     if not force:
-        path_count = sum([len(paths) for computer, paths in path_mapping.items()])
+        path_count = sum(len(paths) for paths in path_mapping.values())
         warning = f'Are you sure you want to clean the work directory of {path_count} calcjobs?'
         click.confirm(warning, abort=True)
 

aiida/cmdline/commands/cmd_profile.py

@@ -40,8 +40,8 @@ def profile_list():
     if not config.profiles:
         echo.echo_warning('no profiles configured: run `verdi setup` to create one')
     else:
-        sort = lambda profile: profile.name
-        highlight = lambda profile: profile.name == config.default_profile_name
+        sort = lambda profile: profile.name  # pylint: disable=unnecessary-lambda-assignment
+        highlight = lambda profile: profile.name == config.default_profile_name  # pylint: disable=unnecessary-lambda-assignment
         echo.echo_formatted_list(config.profiles, ['name'], sort=sort, highlight=highlight)
 
 

aiida/cmdline/commands/cmd_run.py

@@ -22,19 +22,19 @@
 @contextlib.contextmanager
 def update_environment(argv):
     """Context manager that temporarily replaces `sys.argv` with `argv` and adds current working dir to the path."""
-    try:
-        # Store a copy of the current path and argv as a backup variable so it can be restored later
-        _path = sys.path[:]
-        _argv = sys.argv[:]
+    # Store a copy of the current path and argv as a backup variable so it can be restored later
+    _path = sys.path[:]
+    _argv = sys.argv[:]
 
+    try:
         # Add the current working directory to the path, such that local modules can be imported
         sys.path.append(str(pathlib.Path.cwd().resolve()))
         sys.argv = argv[:]
         yield
     finally:
         # Restore old parameters when exiting from the context manager
-        sys.argv = _argv
-        sys.path = _path
+        sys.argv = _argv  # pylint
+        sys.path = _path  # pylint
 
 
 def validate_entry_point_strings(_, __, value):

aiida/cmdline/params/options/commands/setup.py

@@ -47,14 +47,14 @@ def get_profile_attribute_default(attribute_tuple, ctx):
         validate_profile_parameter(ctx)
     except click.BadParameter:
         return default
-    else:
-        try:
-            data = ctx.params['profile'].dictionary
-            for part in parts:
-                data = data[part]
-            return data
-        except KeyError:
-            return default
+
+    try:
+        data = ctx.params['profile'].dictionary
+        for part in parts:
+            data = data[part]
+        return data
+    except KeyError:
+        return default
 
 
 def get_repository_uri_default(ctx):

aiida/cmdline/params/types/choice.py

@@ -27,6 +27,7 @@ class LazyChoice(click.ParamType):
     name = 'choice'
 
     def __init__(self, get_choices):
+        """Construct a new instance."""
         if not callable(get_choices):
             raise TypeError(f"Must pass a callable, got '{get_choices}'")
 

aiida/cmdline/params/types/config.py

@@ -26,7 +26,7 @@ def convert(self, value, param, ctx):
 
         return get_option(value)
 
-    def shell_complete(self, ctx, param, incomplete):  # pylint: disable=unused-argument,no-self-use
+    def shell_complete(self, ctx, param, incomplete):  # pylint: disable=unused-argument
         """
         Return possible completions based on an incomplete value
 

aiida/cmdline/params/types/multiple.py

@@ -21,6 +21,7 @@ class MultipleValueParamType(click.ParamType):
     """
 
     def __init__(self, param_type):
+        """Construct a new instance."""
         super().__init__()
         self._param_type = param_type
 

aiida/cmdline/params/types/plugin.py

@@ -214,7 +214,7 @@ def get_entry_point_from_string(self, entry_point_string):
             group = matching_groups.pop()
 
         else:
-            ValueError(f'invalid entry point string format: {entry_point_string}')
+            raise ValueError(f'invalid entry point string format: {entry_point_string}')
 
         # If there is a factory for the entry point group, use that, otherwise use ``get_entry_point``
         try:

aiida/cmdline/params/types/profile.py

@@ -73,7 +73,7 @@ def convert(self, value, param, ctx):
 
         return profile
 
-    def shell_complete(self, ctx, param, incomplete):  # pylint: disable=unused-argument,no-self-use
+    def shell_complete(self, ctx, param, incomplete):  # pylint: disable=unused-argument
         """Return possible completions based on an incomplete value
 
         :returns: list of tuples of valid entry points (matching incomplete) and a description

aiida/cmdline/params/types/user.py

@@ -45,7 +45,7 @@ def convert(self, value, param, ctx):
         return results[0]
 
     @with_dbenv()
-    def shell_complete(self, ctx, param, incomplete):  # pylint: disable=unused-argument,no-self-use
+    def shell_complete(self, ctx, param, incomplete):  # pylint: disable=unused-argument
         """
         Return possible completions based on an incomplete value
 

aiida/cmdline/utils/echo.py

@@ -56,7 +56,7 @@ def echo(message: Any, fg: Optional[str] = None, bold: bool = False, nl: bool =
     :param err: whether to log to stderr.
     """
     message = click.style(message, fg=fg, bold=bold)
-    CMDLINE_LOGGER.report(message, extra=dict(nl=nl, err=err, prefix=False))
+    CMDLINE_LOGGER.report(message, extra={'nl': nl, 'err': err, 'prefix': False})
 
 
 def echo_debug(message: str, bold: bool = False, nl: bool = True, err: bool = False, prefix: bool = True) -> None:
@@ -69,7 +69,7 @@ def echo_debug(message: str, bold: bool = False, nl: bool = True, err: bool = Fa
     :param prefix: whether the message should be prefixed with a colored version of the log level.
     """
     message = click.style(message, bold=bold)
-    CMDLINE_LOGGER.debug(message, extra=dict(nl=nl, err=err, prefix=prefix))
+    CMDLINE_LOGGER.debug(message, extra={'nl': nl, 'err': err, 'prefix': prefix})
 
 
 def echo_info(message: str, bold: bool = False, nl: bool = True, err: bool = False, prefix: bool = True) -> None:
@@ -82,7 +82,7 @@ def echo_info(message: str, bold: bool = False, nl: bool = True, err: bool = Fal
     :param prefix: whether the message should be prefixed with a colored version of the log level.
     """
     message = click.style(message, bold=bold)
-    CMDLINE_LOGGER.info(message, extra=dict(nl=nl, err=err, prefix=prefix))
+    CMDLINE_LOGGER.info(message, extra={'nl': nl, 'err': err, 'prefix': prefix})
 
 
 def echo_report(message: str, bold: bool = False, nl: bool = True, err: bool = False, prefix: bool = True) -> None:
@@ -95,7 +95,7 @@ def echo_report(message: str, bold: bool = False, nl: bool = True, err: bool = F
     :param prefix: whether the message should be prefixed with a colored version of the log level.
     """
     message = click.style(message, bold=bold)
-    CMDLINE_LOGGER.report(message, extra=dict(nl=nl, err=err, prefix=prefix))
+    CMDLINE_LOGGER.report(message, extra={'nl': nl, 'err': err, 'prefix': prefix})
 
 
 def echo_success(message: str, bold: bool = False, nl: bool = True, err: bool = False, prefix: bool = True) -> None:
@@ -114,7 +114,7 @@ def echo_success(message: str, bold: bool = False, nl: bool = True, err: bool =
     if prefix:
         message = click.style('Success: ', bold=True, fg=COLORS['success']) + message
 
-    CMDLINE_LOGGER.report(message, extra=dict(nl=nl, err=err, prefix=False))
+    CMDLINE_LOGGER.report(message, extra={'nl': nl, 'err': err, 'prefix': False})
 
 
 def echo_warning(message: str, bold: bool = False, nl: bool = True, err: bool = False, prefix: bool = True) -> None:
@@ -127,7 +127,7 @@ def echo_warning(message: str, bold: bool = False, nl: bool = True, err: bool =
     :param prefix: whether the message should be prefixed with a colored version of the log level.
     """
     message = click.style(message, bold=bold)
-    CMDLINE_LOGGER.warning(message, extra=dict(nl=nl, err=err, prefix=prefix))
+    CMDLINE_LOGGER.warning(message, extra={'nl': nl, 'err': err, 'prefix': prefix})
 
 
 def echo_error(message: str, bold: bool = False, nl: bool = True, err: bool = True, prefix: bool = True) -> None:
@@ -140,7 +140,7 @@ def echo_error(message: str, bold: bool = False, nl: bool = True, err: bool = Tr
     :param prefix: whether the message should be prefixed with a colored version of the log level.
     """
     message = click.style(message, bold=bold)
-    CMDLINE_LOGGER.error(message, extra=dict(nl=nl, err=err, prefix=prefix))
+    CMDLINE_LOGGER.error(message, extra={'nl': nl, 'err': err, 'prefix': prefix})
 
 
 def echo_critical(message: str, bold: bool = False, nl: bool = True, err: bool = True, prefix: bool = True) -> None:
@@ -156,7 +156,7 @@ def echo_critical(message: str, bold: bool = False, nl: bool = True, err: bool =
     :param prefix: whether the message should be prefixed with a colored version of the log level.
     """
     message = click.style(message, bold=bold)
-    CMDLINE_LOGGER.critical(message, extra=dict(nl=nl, err=err, prefix=prefix))
+    CMDLINE_LOGGER.critical(message, extra={'nl': nl, 'err': err, 'prefix': prefix})
     sys.exit(ExitCode.CRITICAL)
 
 

aiida/common/utils.py

@@ -131,7 +131,7 @@ def str_timedelta(dt, max_num_fields=3, short=False, negative_to_zero=False):  #
     if negative_to_zero:
         s_tot = max(s_tot, 0)
 
-    negative = (s_tot < 0)
+    negative = s_tot < 0
     s_tot = abs(s_tot)
 
     negative_string = ' in the future' if negative else ' ago'
@@ -519,6 +519,7 @@ class Capturing:
     # pylint: disable=attribute-defined-outside-init
 
     def __init__(self, capture_stderr=False):
+        """Construct a new instance."""
         self.stdout_lines = []
         super().__init__()
 

aiida/engine/persistence.py

@@ -33,7 +33,7 @@
 class ObjectLoader(plumpy.loaders.DefaultObjectLoader):
     """Custom object loader for `aiida-core`."""
 
-    def load_object(self, identifier: str) -> Any:  # pylint: disable=no-self-use
+    def load_object(self, identifier: str) -> Any:
         """Attempt to load the object identified by the given `identifier`.
 
         .. note:: We override the `plumpy.DefaultObjectLoader` to be able to throw an `ImportError` instead of a
@@ -70,7 +70,7 @@ def get_object_loader() -> ObjectLoader:
 class AiiDAPersister(plumpy.persistence.Persister):
     """Persister to take saved process instance states and persisting them to the database."""
 
-    def save_checkpoint(self, process: 'Process', tag: Optional[str] = None):  # type: ignore[override] # pylint: disable=no-self-use
+    def save_checkpoint(self, process: 'Process', tag: Optional[str] = None):  # type: ignore[override]
         """Persist a Process instance.
 
         :param process: :class:`aiida.engine.Process`
@@ -95,7 +95,7 @@ def save_checkpoint(self, process: 'Process', tag: Optional[str] = None):  # typ
 
         return bundle
 
-    def load_checkpoint(self, pid: Hashable, tag: Optional[str] = None) -> plumpy.persistence.Bundle:  # pylint: disable=no-self-use
+    def load_checkpoint(self, pid: Hashable, tag: Optional[str] = None) -> plumpy.persistence.Bundle:
         """Load a process from a persisted checkpoint by its process id.
 
         :param pid: the process id of the :class:`plumpy.Process`
@@ -140,7 +140,7 @@ def get_process_checkpoints(self, pid: Hashable):
         :return: list of PersistedCheckpoint tuples with element containing the process id and optional checkpoint tag.
         """
 
-    def delete_checkpoint(self, pid: Hashable, tag: Optional[str] = None) -> None:  # pylint: disable=no-self-use,unused-argument
+    def delete_checkpoint(self, pid: Hashable, tag: Optional[str] = None) -> None:  # pylint: disable=unused-argument
         """Delete a persisted process checkpoint, where no error will be raised if the checkpoint does not exist.
 
         :param pid: the process id of the :class:`plumpy.Process`

aiida/engine/processes/builder.py

@@ -206,13 +206,13 @@ def _update(self, *args, **kwds):
                 if isinstance(value, Mapping):
                     self[key].update(value)
                 else:
-                    self.__setattr__(key, value)
+                    self.__setattr__(key, value)  # pylint: disable=unnecessary-dunder-call
 
         for key, value in kwds.items():
             if isinstance(value, Mapping):
                 self[key].update(value)
             else:
-                self.__setattr__(key, value)
+                self.__setattr__(key, value)  # pylint: disable=unnecessary-dunder-call
 
     def _inputs(self, prune: bool = False) -> dict:
         """Return the entire mapping of inputs specified for this builder.

aiida/engine/processes/calcjobs/monitors.py

@@ -149,6 +149,7 @@ class CalcJobMonitors:
     """
 
     def __init__(self, monitors: dict[str, Dict]):
+        """Construct a new instance."""
         type_check(monitors, dict)
 
         if any(not isinstance(monitor, Dict) for monitor in monitors.values()):

aiida/engine/processes/calcjobs/tasks.py

@@ -105,7 +105,7 @@ async def do_upload():
         )
     except PreSubmitException:
         raise
-    except (plumpy.futures.CancelledError, plumpy.process_states.Interruption):
+    except (plumpy.futures.CancelledError, plumpy.process_states.Interruption):  # pylint: disable=try-except-raise
         raise
     except Exception as exception:
         logger.warning(f'uploading CalcJob<{node.pk}> failed')

aiida/engine/processes/functions.py

@@ -59,7 +59,7 @@
 
 LOGGER = logging.getLogger(__name__)
 
-FunctionType = t.TypeVar('FunctionType', bound=t.Callable[..., t.Any])
+FunctionType = t.TypeVar('FunctionType', bound=t.Callable[..., t.Any])  # pylint: disable=invalid-name
 
 
 def calcfunction(function: FunctionType) -> FunctionType:
@@ -360,7 +360,7 @@ def _define(cls, spec):  # pylint: disable=unused-argument
                     default is not None and default != UNSPECIFIED and not isinstance(default, Data) and
                     not callable(default)
                 ):
-                    indirect_default = lambda value=default: to_aiida_type(value)
+                    indirect_default = lambda value=default: to_aiida_type(value)  # pylint: disable=unnecessary-lambda-assignment
                 else:
                     indirect_default = default
 

aiida/engine/processes/process.py

@@ -635,7 +635,7 @@ def _create_and_setup_db_record(self) -> Union[int, UUID]:
         return UUID(self.node.uuid)
 
     @override
-    def encode_input_args(self, inputs: Dict[str, Any]) -> str:  # pylint: disable=no-self-use
+    def encode_input_args(self, inputs: Dict[str, Any]) -> str:
         """
         Encode input arguments such that they may be saved in a Bundle
 
@@ -645,7 +645,7 @@ def encode_input_args(self, inputs: Dict[str, Any]) -> str:  # pylint: disable=n
         return serialize.serialize(inputs)
 
     @override
-    def decode_input_args(self, encoded: str) -> Dict[str, Any]:  # pylint: disable=no-self-use
+    def decode_input_args(self, encoded: str) -> Dict[str, Any]:
         """
         Decode saved input arguments as they came from the saved instance state Bundle
 
@@ -809,8 +809,7 @@ def _filter_serializable_metadata(
                 clean_value(port_value)
             except exceptions.ValidationError:
                 return None
-            else:
-                return port_value
+            return port_value
 
         result = {}