Draft: Ruff (#520)

* add ruff linter/formatter to CI

* show diff

* enable common ruff rules

* exclude some files from formatting

* sort imports

* apply ruff auto-fixes

* apply unsafe fixes -- NEEDS REVIEW!

* ignore line-length violations as they are covered by the formatter

* reset _version and add it to excludes

* fix logger reimport

* fix over-eager optimizations in tests

* format fixes

* some custom fixes

* deactivate F401 for main include

* Get rid of creator and wrapper caches

Signed-off-by: liamhuber <[email protected]>

* De-abstract HasCreator

* Remove unused import

Signed-off-by: liamhuber <[email protected]>

* Ignore unused imports in init files\n\nwe specify APIs this way

* Remove ABC

I personally like to use it as an indicator to devs that there's no intention of actually instantiating this class itself, but ruff insists that they are _only_ for specifying interfaces, and without and abstractmethod this doesn't make the cut. I acquiesce.

Signed-off-by: liamhuber <[email protected]>

* Don't use lru_cache

The operation is simple enough that the savings must have been minimal, and this is not used repeatedly (only when parsing class definitions to start with, e.g. at initial import), so any minor cost is going to be tolerable anyhow.

Signed-off-by: liamhuber <[email protected]>

* Use a more descriptive variable

Signed-off-by: liamhuber <[email protected]>

* Use more descriptive variables

Signed-off-by: liamhuber <[email protected]>

* Use more specific settings field

Per ruff deprecation warning

Signed-off-by: liamhuber <[email protected]>

* Keep the Workflow import separate

It was placed intentionally separate from the other imports to distinguish the pyironic single-import user interface from the more standard user/dev public API imports. The line is annotated to prevent ruff from moving it back later.

Signed-off-by: liamhuber <[email protected]>

* Remove redundant per-file linter directions

Signed-off-by: liamhuber <[email protected]>

* Accept ruff format -- except for multiline strings\n\nI'm not ready to accept the drop in readability from ruff's formatting here. On a quick search, I didn't find any way to modify just this element of the formatting.

* Remove ruff format

Until I either cave on the multiline string formatting, or ruff let's us change it. In the meantime we use black anyhow for formatting.

Signed-off-by: liamhuber <[email protected]>

* Re-instert intentional bad formatting\n\nFor testing the parser

* Adjust test expectation for reformatted test

* Desingleton creator (#527)

* De-singleton creator and wrapper and update docstring

* Sneak a fix for 522 while we're here

---------

Signed-off-by: liamhuber <[email protected]>
Co-authored-by: liamhuber <[email protected]>

.github/workflows/ruff.yml

@@ -0,0 +1,17 @@
+name: Ruff
+on: [ push, pull_request ]
+jobs:
+  ruff-check:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: astral-sh/ruff-action@v1
+        with:
+          args: check
+  ruff-sort-imports:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: astral-sh/ruff-action@v1
+        with:
+          args: check --select I --fix --diff

pyiron_workflow/__init__.py

@@ -34,15 +34,18 @@
 # API
 
 # User entry point
-from pyiron_workflow.workflow import Workflow
+from pyiron_workflow.workflow import Workflow  # ruff: isort: skip
 
 # Node developer entry points
 from pyiron_workflow.channels import NOT_DATA
+from pyiron_workflow.find import (
+    find_nodes as _find_nodes,  # Not formally in API -- don't rely on interface
+)
+from pyiron_workflow.logging import logger
 from pyiron_workflow.nodes import standard as standard_nodes
 from pyiron_workflow.nodes.composite import FailedChildError
 from pyiron_workflow.nodes.for_loop import for_node, for_node_factory
 from pyiron_workflow.nodes.function import Function, as_function_node, function_node
-from pyiron_workflow.logging import logger
 from pyiron_workflow.nodes.macro import Macro, as_macro_node, macro_node
 from pyiron_workflow.nodes.transform import (
     as_dataclass_node,
@@ -53,11 +56,8 @@
     list_to_outputs,
 )
 from pyiron_workflow.storage import (
-    StorageInterface,
     PickleStorage,
-    available_backends,
+    StorageInterface,
     TypeNotFoundError,
-)
-from pyiron_workflow.find import (
-    find_nodes as _find_nodes,  # Not formally in API -- don't rely on interface
+    available_backends,
 )

pyiron_workflow/_tests.py

@@ -2,8 +2,8 @@
 Tools specifically for the test suite, not intended for general use.
 """
 
-from pathlib import Path
 import sys
+from pathlib import Path
 
 
 def ensure_tests_in_python_path():

pyiron_workflow/channels.py

@@ -8,17 +8,17 @@
 
 from __future__ import annotations
 
+import inspect
 import typing
 from abc import ABC, abstractmethod
-import inspect
 
 from pyiron_snippets.singleton import Singleton
 
-from pyiron_workflow.mixin.has_interface_mixins import HasChannel, HasLabel
 from pyiron_workflow.mixin.display_state import HasStateDisplay
+from pyiron_workflow.mixin.has_interface_mixins import HasChannel, HasLabel
 from pyiron_workflow.type_hinting import (
-    valid_value,
     type_hint_is_as_or_more_specific_than,
+    valid_value,
 )
 
 if typing.TYPE_CHECKING:
@@ -340,10 +340,10 @@ def __init__(
         self,
         label: str,
         owner: HasIO,
-        default: typing.Optional[typing.Any] = NOT_DATA,
-        type_hint: typing.Optional[typing.Any] = None,
+        default: typing.Any | None = NOT_DATA,
+        type_hint: typing.Any | None = None,
         strict_hints: bool = True,
-        value_receiver: typing.Optional[InputData] = None,
+        value_receiver: InputData | None = None,
     ):
         super().__init__(label=label, owner=owner)
         self._value = NOT_DATA
@@ -404,16 +404,19 @@ def value_receiver(self, new_partner: InputData | OutputData | None):
                     f"itself"
                 )
 
-            if self._both_typed(new_partner) and new_partner.strict_hints:
-                if not type_hint_is_as_or_more_specific_than(
+            if (
+                self._both_typed(new_partner)
+                and new_partner.strict_hints
+                and not type_hint_is_as_or_more_specific_than(
                     self.type_hint, new_partner.type_hint
-                ):
-                    raise ValueError(
-                        f"The channel {self.full_label} cannot take "
-                        f"{new_partner.full_label} as a value receiver because this "
-                        f"type hint ({self.type_hint}) is not as or more specific than "
-                        f"the receiving type hint ({new_partner.type_hint})."
-                    )
+                )
+            ):
+                raise ValueError(
+                    f"The channel {self.full_label} cannot take "
+                    f"{new_partner.full_label} as a value receiver because this "
+                    f"type hint ({self.type_hint}) is not as or more specific than "
+                    f"the receiving type hint ({new_partner.type_hint})."
+                )
 
             new_partner.value = self.value
 
@@ -614,7 +617,7 @@ def _has_required_args(func):
     def callback(self) -> callable:
         return getattr(self.owner, self._callback)
 
-    def __call__(self, other: typing.Optional[OutputSignal] = None) -> None:
+    def __call__(self, other: OutputSignal | None = None) -> None:
         self.callback()
 
     def __str__(self):

pyiron_workflow/create.py

@@ -4,35 +4,25 @@
 
 from __future__ import annotations
 
-from abc import ABC
 from concurrent.futures import ProcessPoolExecutor, ThreadPoolExecutor
-from functools import lru_cache
 
-from pyiron_snippets.dotdict import DotDict
-from pyiron_snippets.singleton import Singleton
 from executorlib import Executor as ExecutorlibExecutor
+from pyiron_snippets.dotdict import DotDict
 
 from pyiron_workflow.executors import CloudpickleProcessPoolExecutor
-from pyiron_workflow.nodes.function import function_node, as_function_node
+from pyiron_workflow.nodes.function import as_function_node, function_node
 
 
-class Creator(metaclass=Singleton):
+class Creator:
     """
     A container class for providing access to various workflow objects.
-    Gives access to various workflow tools and, by virtue of being a singleton, makes them
-    available to all composite nodes holding a creator.
+    Gives access to various workflow tools.
 
     In addition to node objects, the creator also provides workflow-compliant executors
     for parallel processing.
-    This includes a very simple in-house executor that is useful for learning, but also
-    choices from the :mod:`executorlib` packages.
-    Some :mod:`executorlib` executors may not be available on your machine (e.g. flux-
-    and/or slurm-based executors), in which case these attributes will return `None`
-    instead.
     """
 
     def __init__(self):
-
         # Standard lib
         self.ProcessPoolExecutor = ProcessPoolExecutor
         self.ThreadPoolExecutor = ThreadPoolExecutor
@@ -44,35 +34,30 @@ def __init__(self):
         self.function_node = function_node
 
     @property
-    @lru_cache(maxsize=1)
     def standard(self):
         from pyiron_workflow.nodes import standard
 
         return standard
 
     @property
-    @lru_cache(maxsize=1)
     def for_node(self):
         from pyiron_workflow.nodes.for_loop import for_node
 
         return for_node
 
     @property
-    @lru_cache(maxsize=1)
     def macro_node(self):
         from pyiron_workflow.nodes.macro import macro_node
 
         return macro_node
 
     @property
-    @lru_cache(maxsize=1)
     def Workflow(self):
         from pyiron_workflow.workflow import Workflow
 
         return Workflow
 
     @property
-    @lru_cache(maxsize=1)
     def meta(self):
         from pyiron_workflow.nodes.transform import inputs_to_list, list_to_outputs
 
@@ -84,7 +69,6 @@ def meta(self):
         )
 
     @property
-    @lru_cache(maxsize=1)
     def transformer(self):
         from pyiron_workflow.nodes.transform import (
             dataclass_node,
@@ -106,32 +90,29 @@ def transformer(self):
                 ]
             }
         )
-        return super().__dir__() + list(self._package_access.keys())
 
 
-class Wrappers(metaclass=Singleton):
+class Wrappers:
     """
     A container class giving access to the decorators that transform functions to nodes.
     """
 
     as_function_node = staticmethod(as_function_node)
 
     @property
-    @lru_cache(maxsize=1)
     def as_macro_node(self):
         from pyiron_workflow.nodes.macro import as_macro_node
 
         return as_macro_node
 
     @property
-    @lru_cache(maxsize=1)
     def as_dataclass_node(self):
         from pyiron_workflow.nodes.transform import as_dataclass_node
 
         return as_dataclass_node
 
 
-class HasCreator(ABC):
+class HasCreator:
     """
     A mixin class for creator (including both class-like and decorator).
     """

pyiron_workflow/draw.py

@@ -5,7 +5,7 @@
 from __future__ import annotations
 
 from abc import ABC, abstractmethod
-from typing import Literal, Optional, TYPE_CHECKING
+from typing import TYPE_CHECKING, Literal
 
 import graphviz
 from pyiron_snippets.colors import SeabornColors
@@ -75,7 +75,7 @@ def blend_colours(color_a, color_b, fraction_a=0.5):
     return _to_hex(
         tuple(
             fraction_a * a + (1 - fraction_a) * b
-            for (a, b) in zip(_to_rgb(color_a), _to_rgb(color_b))
+            for (a, b) in zip(_to_rgb(color_a), _to_rgb(color_b), strict=False)
         )
     )
 
@@ -312,10 +312,10 @@ class Node(WorkflowGraphvizMap):
     def __init__(
         self,
         node: WorkflowNode,
-        parent: Optional[Node] = None,
+        parent: Node | None = None,
         depth: int = 1,
         rankdir: Literal["LR", "TB"] = "LR",
-        size: Optional[str] = None,
+        size: str | None = None,
     ):
         self.node = node
         self._parent = parent

pyiron_workflow/executors/cloudpickleprocesspool.py

@@ -1,5 +1,5 @@
 from concurrent.futures import Future, ProcessPoolExecutor
-from concurrent.futures.process import _global_shutdown, _WorkItem, BrokenProcessPool
+from concurrent.futures.process import BrokenProcessPool, _global_shutdown, _WorkItem
 from sys import version_info
 
 import cloudpickle
@@ -195,8 +195,7 @@ def _submit_3_8(*args, **kwargs):
             )
         else:
             raise TypeError(
-                "submit expected at least 1 positional argument, "
-                "got %d" % (len(args) - 1)
+                "submit expected at least 1 positional argument, got {len(args) - 1}"
             )
 
         with self._shutdown_lock:

pyiron_workflow/find.py

@@ -1,9 +1,9 @@
 from __future__ import annotations
 
-import inspect
 import importlib.util
-from pathlib import Path
+import inspect
 import sys
+from pathlib import Path
 from types import ModuleType
 
 from pyiron_workflow.node import Node
@@ -16,7 +16,7 @@ def _get_subclasses(
     get_abstract: bool = False,
     get_imports_too: bool = False,
 ):
-    if isinstance(source, (str, Path)):
+    if isinstance(source, str | Path):
         source = Path(source)
         if source.is_file():
             # Load the module from the file