From 78f5521f5f2eadf587ad59dae2dfa3c56bea90f9 Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Tue, 6 May 2025 02:47:05 +0100 Subject: [PATCH 01/12] Bump mypy to 1.16.0 --- pyproject.toml | 2 +- src/aiida/cmdline/commands/cmd_profile.py | 6 +- src/aiida/engine/processes/functions.py | 28 ++++--- src/aiida/engine/processes/process.py | 2 +- src/aiida/orm/nodes/data/code/installed.py | 2 +- .../nodes/process/calculation/calcfunction.py | 2 +- .../nodes/process/workflow/workfunction.py | 2 +- src/aiida/repository/backend/abstract.py | 5 +- uv.lock | 77 +++++++++++-------- 9 files changed, 71 insertions(+), 55 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index c622766a9b..e3192a2c0e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -229,7 +229,7 @@ notebook = [ ] pre-commit = [ 'aiida-core[atomic_tools,rest,tests,tui]', - 'mypy~=1.13.0', + 'mypy~=1.16.0', 'packaging~=23.0', 'pre-commit~=3.5', 'sqlalchemy[mypy]~=2.0', diff --git a/src/aiida/cmdline/commands/cmd_profile.py b/src/aiida/cmdline/commands/cmd_profile.py index c20df566cc..211aa6d163 100644 --- a/src/aiida/cmdline/commands/cmd_profile.py +++ b/src/aiida/cmdline/commands/cmd_profile.py @@ -131,17 +131,17 @@ def profile_setup(): """Set up a new profile.""" -@verdi_profile.command('configure-rabbitmq') # type: ignore[arg-type] +@verdi_profile.command('configure-rabbitmq') +@click.pass_context @arguments.PROFILE(default=defaults.get_default_profile) @options.FORCE() +@options.NON_INTERACTIVE(default=True, show_default='--non-interactive') @setup.SETUP_BROKER_PROTOCOL() @setup.SETUP_BROKER_USERNAME() @setup.SETUP_BROKER_PASSWORD() @setup.SETUP_BROKER_HOST() @setup.SETUP_BROKER_PORT() @setup.SETUP_BROKER_VIRTUAL_HOST() -@options.NON_INTERACTIVE(default=True, show_default='--non-interactive') -@click.pass_context def profile_configure_rabbitmq(ctx, profile, non_interactive, force, **kwargs): """Configure RabbitMQ for a profile. diff --git a/src/aiida/engine/processes/functions.py b/src/aiida/engine/processes/functions.py index 925dedeba1..22d5ff8665 100644 --- a/src/aiida/engine/processes/functions.py +++ b/src/aiida/engine/processes/functions.py @@ -355,11 +355,11 @@ def build(func: FunctionType, node_class: t.Type['ProcessNode']) -> t.Type['Func """ if ( not issubclass(node_class, ProcessNode) # type: ignore[redundant-expr] - or not issubclass(node_class, FunctionCalculationMixin) # type: ignore[unreachable] + or not issubclass(node_class, FunctionCalculationMixin) ): raise TypeError('the node_class should be a sub class of `ProcessNode` and `FunctionCalculationMixin`') - signature = inspect.signature(func) # type: ignore[unreachable] + signature = inspect.signature(func) args: list[str] = [] var_positional: str | None = None @@ -373,17 +373,21 @@ def build(func: FunctionType, node_class: t.Type['ProcessNode']) -> t.Type['Func LOGGER.warning(f'function `{func.__name__}` has invalid type hints: {exception}') annotations = {} - try: - parsed_docstring = docstring_parser.parse(func.__doc__) - except Exception as exception: - LOGGER.warning(f'function `{func.__name__}` has a docstring that could not be parsed: {exception}') - param_help_string = {} + if func.__doc__ is None: + param_help_string: dict[str, str | None] = {} namespace_help_string = None else: - param_help_string = {param.arg_name: param.description for param in parsed_docstring.params} - namespace_help_string = parsed_docstring.short_description if parsed_docstring.short_description else '' - if parsed_docstring.long_description is not None: - namespace_help_string += f'\n\n{parsed_docstring.long_description}' + try: + parsed_docstring = docstring_parser.parse(func.__doc__) + except Exception as exception: + LOGGER.warning(f'function `{func.__name__}` has a docstring that could not be parsed: {exception}') + param_help_string = {} + namespace_help_string = None + else: + param_help_string = {param.arg_name: param.description for param in parsed_docstring.params} + namespace_help_string = parsed_docstring.short_description if parsed_docstring.short_description else '' + if parsed_docstring.long_description is not None: + namespace_help_string += f'\n\n{parsed_docstring.long_description}' for key, parameter in signature.parameters.items(): if parameter.kind in [parameter.POSITIONAL_ONLY, parameter.POSITIONAL_OR_KEYWORD, parameter.KEYWORD_ONLY]: @@ -435,7 +439,7 @@ def define(cls, spec): def indirect_default(value=default): return to_aiida_type(value) else: - indirect_default = default + indirect_default = default # type: ignore[assignment] spec.input( parameter.name, diff --git a/src/aiida/engine/processes/process.py b/src/aiida/engine/processes/process.py index cba3b3a211..6ef4bec1e2 100644 --- a/src/aiida/engine/processes/process.py +++ b/src/aiida/engine/processes/process.py @@ -83,7 +83,7 @@ class Process(PlumpyProcess): class SaveKeys(enum.Enum): """Keys used to identify things in the saved instance state bundle.""" - CALC_ID: str = 'calc_id' + CALC_ID = 'calc_id' @classmethod def spec(cls) -> ProcessSpec: diff --git a/src/aiida/orm/nodes/data/code/installed.py b/src/aiida/orm/nodes/data/code/installed.py index 7a6ec531bb..5c2088ba64 100644 --- a/src/aiida/orm/nodes/data/code/installed.py +++ b/src/aiida/orm/nodes/data/code/installed.py @@ -159,7 +159,7 @@ def get_executable(self) -> pathlib.PurePath: """ return self.filepath_executable - @property # type: ignore[override] + @property def computer(self) -> Computer: """Return the computer of this code.""" assert self.backend_entity.computer is not None diff --git a/src/aiida/orm/nodes/process/calculation/calcfunction.py b/src/aiida/orm/nodes/process/calculation/calcfunction.py index 5c4480cfb2..002ed02b4c 100644 --- a/src/aiida/orm/nodes/process/calculation/calcfunction.py +++ b/src/aiida/orm/nodes/process/calculation/calcfunction.py @@ -47,7 +47,7 @@ def validate_outgoing(self, target: 'Node', link_type: LinkType, link_label: str ) -class CalcFunctionNode(FunctionCalculationMixin, CalculationNode): # type: ignore[misc] +class CalcFunctionNode(FunctionCalculationMixin, CalculationNode): """ORM class for all nodes representing the execution of a calcfunction.""" _CLS_NODE_LINKS = CalcFunctionNodeLinks diff --git a/src/aiida/orm/nodes/process/workflow/workfunction.py b/src/aiida/orm/nodes/process/workflow/workfunction.py index 8998091aa9..44bd75e772 100644 --- a/src/aiida/orm/nodes/process/workflow/workfunction.py +++ b/src/aiida/orm/nodes/process/workflow/workfunction.py @@ -45,7 +45,7 @@ def validate_outgoing(self, target: 'Node', link_type: LinkType, link_label: str ) -class WorkFunctionNode(FunctionCalculationMixin, WorkflowNode): # type: ignore[misc] +class WorkFunctionNode(FunctionCalculationMixin, WorkflowNode): """ORM class for all nodes representing the execution of a workfunction.""" _CLS_NODE_LINKS = WorkFunctionNodeLinks diff --git a/src/aiida/repository/backend/abstract.py b/src/aiida/repository/backend/abstract.py index 7d0c554269..01cd635d0a 100644 --- a/src/aiida/repository/backend/abstract.py +++ b/src/aiida/repository/backend/abstract.py @@ -75,10 +75,7 @@ def put_object_from_filelike(self, handle: BinaryIO) -> str: :return: the generated fully qualified identifier for the object within the repository. :raises TypeError: if the handle is not a byte stream. 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mypy entry: mypy - args: [--config-file=pyproject.toml] + args: [--config-file=pyproject.toml, --pretty] language: python types: [python] require_serial: true From 6673061a0389659f36bcb810cc860b380c8ea02b Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Tue, 3 Jun 2025 00:32:50 +0100 Subject: [PATCH 03/12] More type:ignore removals! --- src/aiida/engine/processes/process.py | 2 +- src/aiida/orm/nodes/data/code/installed.py | 2 +- src/aiida/orm/nodes/data/code/portable.py | 2 +- src/aiida/orm/nodes/process/workflow/workchain.py | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/aiida/engine/processes/process.py b/src/aiida/engine/processes/process.py index 6ef4bec1e2..b16bd95826 100644 --- a/src/aiida/engine/processes/process.py +++ b/src/aiida/engine/processes/process.py @@ -379,7 +379,7 @@ def kill(self, msg_text: str | None = None, force_kill: bool = False) -> Union[b continue try: result = self.runner.controller.kill_process(child.pk, msg_text=f'Killed by parent<{self.node.pk}>') - result = asyncio.wrap_future(result) # type: ignore[arg-type] + result = asyncio.wrap_future(result) if asyncio.isfuture(result): killing.append(result) except ConnectionClosed: diff --git a/src/aiida/orm/nodes/data/code/installed.py b/src/aiida/orm/nodes/data/code/installed.py index 5c2088ba64..86f0bd2d1e 100644 --- a/src/aiida/orm/nodes/data/code/installed.py +++ b/src/aiida/orm/nodes/data/code/installed.py @@ -83,7 +83,7 @@ def __init__(self, computer: Computer, filepath_executable: str, **kwargs): """ super().__init__(**kwargs) self.computer = computer - self.filepath_executable = filepath_executable # type: ignore[assignment] + self.filepath_executable = filepath_executable def _validate(self): """Validate the instance by checking that a computer has been defined. diff --git a/src/aiida/orm/nodes/data/code/portable.py b/src/aiida/orm/nodes/data/code/portable.py index e8763b7ab5..bab715ab5a 100644 --- a/src/aiida/orm/nodes/data/code/portable.py +++ b/src/aiida/orm/nodes/data/code/portable.py @@ -104,7 +104,7 @@ def __init__( if not filepath_files_path.is_dir(): raise ValueError(f'The filepath `{filepath_files}` is not a directory.') - self.filepath_executable = filepath_executable # type: ignore[assignment] # should be fixed in mypy 1.15 see mypy/commit/1eb9d4c + self.filepath_executable = filepath_executable self.base.repository.put_object_from_tree(str(filepath_files)) def _validate(self): diff --git a/src/aiida/orm/nodes/process/workflow/workchain.py b/src/aiida/orm/nodes/process/workflow/workchain.py index 8f52dff926..711942706b 100644 --- a/src/aiida/orm/nodes/process/workflow/workchain.py +++ b/src/aiida/orm/nodes/process/workflow/workchain.py @@ -23,7 +23,7 @@ class WorkChainNode(WorkflowNode): STEPPER_STATE_INFO_KEY = 'stepper_state_info' @classproperty - def _updatable_attributes(cls) -> Tuple[str, ...]: # type: ignore[override] # noqa: N805 + def _updatable_attributes(cls) -> Tuple[str, ...]: # noqa: N805 return super()._updatable_attributes + (cls.STEPPER_STATE_INFO_KEY,) @property From 260d3582b6a148ffa8e85eb494654baf4e91753c Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Tue, 3 Jun 2025 00:44:23 +0100 Subject: [PATCH 04/12] Fix bug in existing archive import validation! --- src/aiida/tools/archive/imports.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/aiida/tools/archive/imports.py b/src/aiida/tools/archive/imports.py index 1e299daf30..8ca43576f0 100644 --- a/src/aiida/tools/archive/imports.py +++ b/src/aiida/tools/archive/imports.py @@ -949,7 +949,7 @@ def _import_links( raise ImportUniquenessError( f'Node {in_id} already has an outgoing {link_type.value!r} link with label {link_label!r}' ) - if 'out_id' in link_uniqueness and out_id in existing_out_id_label: + if 'out_id' in link_uniqueness and out_id in existing_out_id: raise ImportUniquenessError(f'Node {out_id} already has an incoming {link_type.value!r} link') if 'out_id_label' in link_uniqueness and (out_id, link_label) in existing_out_id_label: raise ImportUniquenessError( From 4454d0422e0472ee3076f91b2af352794f7ce042 Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Tue, 3 Jun 2025 00:53:16 +0100 Subject: [PATCH 05/12] add new type:ignores --- src/aiida/orm/nodes/data/code/installed.py | 2 +- src/aiida/orm/nodes/data/code/legacy.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/aiida/orm/nodes/data/code/installed.py b/src/aiida/orm/nodes/data/code/installed.py index 86f0bd2d1e..770d573ba2 100644 --- a/src/aiida/orm/nodes/data/code/installed.py +++ b/src/aiida/orm/nodes/data/code/installed.py @@ -47,7 +47,7 @@ class Model(AbstractCode.Model): ..., title='Computer', description='The remote computer on which the executable resides.', - orm_to_model=lambda node, _: node.computer.label, + orm_to_model=lambda node, _: node.computer.label, # type: ignore[attr-defined] short_name='-Y', priority=2, ) diff --git a/src/aiida/orm/nodes/data/code/legacy.py b/src/aiida/orm/nodes/data/code/legacy.py index f8ae49efde..688f4eae1b 100644 --- a/src/aiida/orm/nodes/data/code/legacy.py +++ b/src/aiida/orm/nodes/data/code/legacy.py @@ -231,7 +231,7 @@ def get_code_helper(cls, label, machinename=None, backend=None): return result[0] @classmethod - def get(cls, pk=None, label=None, machinename=None): + def get(cls, pk: int | None = None, label: str | None = None, machinename: str | None = None) -> t.Any: # type: ignore[override] """Get a Computer object with given identifier string, that can either be the numeric ID (pk), or the label (and computername) (if unique). From 7c9f776fd978842bea5701abca6a0280a82151bd Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Tue, 3 Jun 2025 00:54:42 +0100 Subject: [PATCH 06/12] One more strange type:ignore --- src/aiida/cmdline/groups/dynamic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/aiida/cmdline/groups/dynamic.py b/src/aiida/cmdline/groups/dynamic.py index f9f42a7ace..a691db7cf6 100644 --- a/src/aiida/cmdline/groups/dynamic.py +++ b/src/aiida/cmdline/groups/dynamic.py @@ -137,7 +137,7 @@ def apply_options(func): shared_options.reverse() for option in shared_options: - func = option(func) + func = option(func) # type: ignore[operator] return func From 6ad39d5ae0131b6b4aaf4b9dca86201c8373ee36 Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Tue, 3 Jun 2025 01:08:33 +0100 Subject: [PATCH 07/12] Remove extra annotations --- src/aiida/orm/nodes/data/code/legacy.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/aiida/orm/nodes/data/code/legacy.py b/src/aiida/orm/nodes/data/code/legacy.py index 688f4eae1b..bae92d4f02 100644 --- a/src/aiida/orm/nodes/data/code/legacy.py +++ b/src/aiida/orm/nodes/data/code/legacy.py @@ -231,7 +231,7 @@ def get_code_helper(cls, label, machinename=None, backend=None): return result[0] @classmethod - def get(cls, pk: int | None = None, label: str | None = None, machinename: str | None = None) -> t.Any: # type: ignore[override] + def get(cls, pk=None, label=None, machinename=None): # type: ignore[override] """Get a Computer object with given identifier string, that can either be the numeric ID (pk), or the label (and computername) (if unique). 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00:00:00 2001 From: Daniel Hollas Date: Wed, 2 Jul 2025 10:07:59 +0100 Subject: [PATCH 09/12] Use cast --- src/aiida/orm/nodes/data/code/installed.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/aiida/orm/nodes/data/code/installed.py b/src/aiida/orm/nodes/data/code/installed.py index 770d573ba2..3401f43ed2 100644 --- a/src/aiida/orm/nodes/data/code/installed.py +++ b/src/aiida/orm/nodes/data/code/installed.py @@ -17,6 +17,7 @@ from __future__ import annotations import pathlib +from typing import cast from pydantic import field_serializer, field_validator @@ -47,7 +48,7 @@ class Model(AbstractCode.Model): ..., title='Computer', description='The remote computer on which the executable resides.', - orm_to_model=lambda node, _: node.computer.label, # type: ignore[attr-defined] + orm_to_model=lambda node, _: cast('InstalledCode', node).computer.label, short_name='-Y', priority=2, ) @@ -55,7 +56,7 @@ class Model(AbstractCode.Model): ..., title='Filepath executable', description='Filepath of the executable on the remote computer.', - orm_to_model=lambda node, _: str(node.filepath_executable), # type: ignore[attr-defined] + orm_to_model=lambda node, _: str(cast('InstalledCode', node).filepath_executable), short_name='-X', priority=1, ) From 05df184095d36127e9b349b19f33b84c94e6f60f Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Wed, 2 Jul 2025 11:44:18 +0100 Subject: [PATCH 10/12] Fix typing of shared_options in src/aiida/cmdline/groups/dynamic.py --- src/aiida/cmdline/groups/dynamic.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/aiida/cmdline/groups/dynamic.py b/src/aiida/cmdline/groups/dynamic.py index a691db7cf6..8a42b3006e 100644 --- a/src/aiida/cmdline/groups/dynamic.py +++ b/src/aiida/cmdline/groups/dynamic.py @@ -47,7 +47,7 @@ def __init__( command: t.Callable, entry_point_group: str, entry_point_name_filter: str = r'.*', - shared_options: list[click.Option] | None = None, + shared_options: list[t.Callable[[t.Any], t.Any]] | None = None, **kwargs, ): super().__init__(**kwargs) @@ -137,13 +137,13 @@ def apply_options(func): shared_options.reverse() for option in shared_options: - func = option(func) # type: ignore[operator] + func = option(func) return func return apply_options - def list_options(self, entry_point: str) -> list: + def list_options(self, entry_point: str) -> list[t.Callable[[t.Any], t.Any]]: """Return the list of options that should be applied to the command for the given entry point. :param entry_point: The entry point. From 59edc1d90ade4e29583bda2c4c2ac35187cbae76 Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Fri, 4 Jul 2025 11:43:57 +0100 Subject: [PATCH 11/12] Mark ctx positional-only in profile_configure_rabbitmq --- src/aiida/cmdline/commands/cmd_profile.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/aiida/cmdline/commands/cmd_profile.py b/src/aiida/cmdline/commands/cmd_profile.py index 211aa6d163..f582291dae 100644 --- a/src/aiida/cmdline/commands/cmd_profile.py +++ b/src/aiida/cmdline/commands/cmd_profile.py @@ -132,7 +132,6 @@ def profile_setup(): @verdi_profile.command('configure-rabbitmq') -@click.pass_context @arguments.PROFILE(default=defaults.get_default_profile) @options.FORCE() @options.NON_INTERACTIVE(default=True, show_default='--non-interactive') @@ -142,7 +141,8 @@ def profile_setup(): @setup.SETUP_BROKER_HOST() @setup.SETUP_BROKER_PORT() @setup.SETUP_BROKER_VIRTUAL_HOST() -def profile_configure_rabbitmq(ctx, profile, non_interactive, force, **kwargs): +@click.pass_context +def profile_configure_rabbitmq(ctx, /, profile, non_interactive, force, **kwargs): """Configure RabbitMQ for a profile. Enable RabbitMQ for a profile that was created without a broker, or reconfigure existing connection details. From 3734865175286212b3a0d6784a35599ce6607443 Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Fri, 4 Jul 2025 16:39:41 +0100 Subject: [PATCH 12/12] Reduce diff --- src/aiida/cmdline/commands/cmd_profile.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/aiida/cmdline/commands/cmd_profile.py b/src/aiida/cmdline/commands/cmd_profile.py index f582291dae..b868cbe211 100644 --- a/src/aiida/cmdline/commands/cmd_profile.py +++ b/src/aiida/cmdline/commands/cmd_profile.py @@ -134,13 +134,13 @@ def profile_setup(): @verdi_profile.command('configure-rabbitmq') @arguments.PROFILE(default=defaults.get_default_profile) @options.FORCE() -@options.NON_INTERACTIVE(default=True, show_default='--non-interactive') @setup.SETUP_BROKER_PROTOCOL() @setup.SETUP_BROKER_USERNAME() @setup.SETUP_BROKER_PASSWORD() @setup.SETUP_BROKER_HOST() @setup.SETUP_BROKER_PORT() @setup.SETUP_BROKER_VIRTUAL_HOST() +@options.NON_INTERACTIVE(default=True, show_default='--non-interactive') @click.pass_context def profile_configure_rabbitmq(ctx, /, profile, non_interactive, force, **kwargs): """Configure RabbitMQ for a profile.