jobflow 0.1.18__tar.gz → 0.2.0__tar.gz

{jobflow-0.1.18/src/jobflow.egg-info → jobflow-0.2.0}/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: jobflow
-Version: 0.1.18
+Version: 0.2.0
 Summary: jobflow is a library for writing computational workflows
 Author-email: Alex Ganose <a.ganose@imperial.ac.uk>
 License: modified BSD
@@ -17,11 +17,12 @@ Classifier: Operating System :: OS Independent
 Classifier: Programming Language :: Python :: 3
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
-Classifier: Programming Language :: Python :: 3.9
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
 Classifier: Topic :: Database :: Front-Ends
 Classifier: Topic :: Other/Nonlisted Topic
 Classifier: Topic :: Scientific/Engineering
-Requires-Python: >=3.9
+Requires-Python: >=3.10
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: PyYAML
@@ -34,39 +35,40 @@ Requires-Dist: pydash
 Provides-Extra: ulid
 Requires-Dist: python-ulid; extra == "ulid"
 Provides-Extra: docs
-Requires-Dist: autodoc_pydantic==2.1.0; extra == "docs"
-Requires-Dist: furo==2024.5.6; extra == "docs"
-Requires-Dist: ipython==8.26.0; extra == "docs"
-Requires-Dist: myst_parser==3.0.1; extra == "docs"
-Requires-Dist: nbsphinx==0.9.4; extra == "docs"
+Requires-Dist: autodoc_pydantic==2.2.0; extra == "docs"
+Requires-Dist: furo==2024.8.6; extra == "docs"
+Requires-Dist: ipython==9.3.0; extra == "docs"
+Requires-Dist: myst_parser==4.0.1; extra == "docs"
+Requires-Dist: nbsphinx==0.9.7; extra == "docs"
 Requires-Dist: sphinx-copybutton==0.5.2; extra == "docs"
-Requires-Dist: sphinx==7.4.4; extra == "docs"
+Requires-Dist: sphinx==8.1.3; extra == "docs"
 Provides-Extra: dev
 Requires-Dist: pre-commit>=2.12.1; extra == "dev"
 Requires-Dist: typing_extensions; python_version < "3.11" and extra == "dev"
 Provides-Extra: tests
-Requires-Dist: moto==4.2.13; extra == "tests"
-Requires-Dist: pytest-cov==5.0.0; extra == "tests"
-Requires-Dist: pytest==8.2.2; extra == "tests"
+Requires-Dist: moto==5.1.5; extra == "tests"
+Requires-Dist: pytest-cov==6.1.1; extra == "tests"
+Requires-Dist: pytest==8.4.0; extra == "tests"
 Provides-Extra: vis
 Requires-Dist: matplotlib; extra == "vis"
 Requires-Dist: pydot; extra == "vis"
 Provides-Extra: fireworks
 Requires-Dist: FireWorks; extra == "fireworks"
 Provides-Extra: strict
-Requires-Dist: FireWorks==2.0.3; extra == "strict"
-Requires-Dist: PyYAML==6.0.1; extra == "strict"
-Requires-Dist: maggma==0.69.0; extra == "strict"
-Requires-Dist: matplotlib==3.9.1; extra == "strict"
-Requires-Dist: monty==2024.7.12; extra == "strict"
-Requires-Dist: moto==4.2.13; extra == "strict"
-Requires-Dist: networkx==3.2.1; extra == "strict"
-Requires-Dist: pydantic-settings==2.3.4; extra == "strict"
-Requires-Dist: pydantic==2.8.2; extra == "strict"
-Requires-Dist: pydash==8.0.1; extra == "strict"
-Requires-Dist: pydot==2.0.0; extra == "strict"
-Requires-Dist: python-ulid==2.7.0; extra == "strict"
-Requires-Dist: typing-extensions==4.12.2; extra == "strict"
+Requires-Dist: FireWorks==2.0.4; extra == "strict"
+Requires-Dist: PyYAML==6.0.2; extra == "strict"
+Requires-Dist: maggma==0.71.5; extra == "strict"
+Requires-Dist: matplotlib==3.10.3; extra == "strict"
+Requires-Dist: monty==2025.3.3; extra == "strict"
+Requires-Dist: moto==5.1.5; extra == "strict"
+Requires-Dist: networkx==3.4.2; extra == "strict"
+Requires-Dist: pydantic-settings==2.9.1; extra == "strict"
+Requires-Dist: pydantic==2.11.5; extra == "strict"
+Requires-Dist: pydash==8.0.5; extra == "strict"
+Requires-Dist: pydot==4.0.0; extra == "strict"
+Requires-Dist: python-ulid==3.0.0; extra == "strict"
+Requires-Dist: typing-extensions==4.13.2; extra == "strict"
+Dynamic: license-file
 
 <div align="center">
 

{jobflow-0.1.18 → jobflow-0.2.0}/pyproject.toml

@@ -1,5 +1,5 @@
 [build-system]
-requires = ["setuptools >= 42", "versioningit ~= 1.0", "wheel"]
+requires = ["setuptools >= 42", "versioningit >= 1,< 4", "wheel"]
 build-backend = "setuptools.build_meta"
 
 [project]
@@ -19,12 +19,13 @@ classifiers = [
     "Programming Language :: Python :: 3",
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
-    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
     "Topic :: Database :: Front-Ends",
     "Topic :: Other/Nonlisted Topic",
     "Topic :: Scientific/Engineering",
 ]
-requires-python = ">=3.9"
+requires-python = ">=3.10"
 dependencies = [
     "PyYAML",
     "maggma>=0.57.0",
@@ -38,32 +39,32 @@ dependencies = [
 [project.optional-dependencies]
 ulid = ["python-ulid"]
 docs = [
-    "autodoc_pydantic==2.1.0",
-    "furo==2024.5.6",
-    "ipython==8.26.0",
-    "myst_parser==3.0.1",
-    "nbsphinx==0.9.4",
+    "autodoc_pydantic==2.2.0",
+    "furo==2024.8.6",
+    "ipython==9.3.0",
+    "myst_parser==4.0.1",
+    "nbsphinx==0.9.7",
     "sphinx-copybutton==0.5.2",
-    "sphinx==7.4.4",
+    "sphinx==8.1.3",
 ]
 dev = ["pre-commit>=2.12.1", "typing_extensions; python_version < '3.11'"]
-tests = ["moto==4.2.13", "pytest-cov==5.0.0", "pytest==8.2.2"]
+tests = ["moto==5.1.5", "pytest-cov==6.1.1", "pytest==8.4.0"]
 vis = ["matplotlib", "pydot"]
 fireworks = ["FireWorks"]
 strict = [
-    "FireWorks==2.0.3",
-    "PyYAML==6.0.1",
-    "maggma==0.69.0",
-    "matplotlib==3.9.1",
-    "monty==2024.7.12",
-    "moto==4.2.13",
-    "networkx==3.2.1",
-    "pydantic-settings==2.3.4",
-    "pydantic==2.8.2",
-    "pydash==8.0.1",
-    "pydot==2.0.0",
-    "python-ulid==2.7.0",
-    "typing-extensions==4.12.2",
+    "FireWorks==2.0.4",
+    "PyYAML==6.0.2",
+    "maggma==0.71.5",
+    "matplotlib==3.10.3",
+    "monty==2025.3.3",
+    "moto==5.1.5",
+    "networkx==3.4.2",
+    "pydantic-settings==2.9.1",
+    "pydantic==2.11.5",
+    "pydash==8.0.5",
+    "pydot==4.0.0",
+    "python-ulid==3.0.0",
+    "typing-extensions==4.13.2",
 ]
 
 [project.urls]
@@ -84,7 +85,7 @@ max-line-length = 88
 max-doc-length = 88
 select = "C, E, F, W, B"
 extend-ignore = "E203, W503, E501, F401, RST21"
-min-python-version = "3.9.0"
+min-python-version = "3.10.0"
 docstring-convention = "numpy"
 rst-roles = "class, func, ref, obj"
 
@@ -121,6 +122,7 @@ exclude_lines = [
 
 [tool.ruff]
 target-version = "py39"
+output-format = "concise"
 
 [tool.ruff.lint]
 select = [
@@ -171,7 +173,6 @@ ignore = [
 ]
 pydocstyle.convention = "numpy"
 isort.known-first-party = ["jobflow"]
-ignore-init-module-imports = true
 
 [tool.ruff.lint.per-file-ignores]
 # F401: unused import
@@ -180,3 +181,4 @@ ignore-init-module-imports = true
 # PLR2004: magic-value-comparison
 # PT004: pytest-missing-fixture-name-underscore
 "**/tests/*" = ["ANN", "ARG001", "D", "PLR2004", "PT004", "S101"]
+"docs/tutorials/*" = ["D", "PLR2004"]

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/core/flow.py

@@ -67,6 +67,11 @@ class Flow(MSONable):
         automatically when a flow is included in the jobs array of another flow.
         The object identified by one UUID of the list should be contained in objects
         identified by its subsequent elements.
+    metadata
+        A dictionary of information that will get stored in the Flow collection.
+    metadata_updates
+        A list of updates for the metadata that will be applied to any dynamically
+        generated sub Flow/Job.
 
     Raises
     ------
@@ -128,6 +133,8 @@ class Flow(MSONable):
         order: JobOrder = JobOrder.AUTO,
         uuid: str = None,
         hosts: list[str] = None,
+        metadata: dict[str, Any] = None,
+        metadata_updates: list[dict[str, Any]] = None,
     ):
         from jobflow.core.job import Job
 
@@ -141,6 +148,8 @@ class Flow(MSONable):
         self.order = order
         self.uuid = uuid
         self.hosts = hosts or []
+        self.metadata = metadata or {}
+        self.metadata_updates = metadata_updates or []
 
         self._jobs: tuple[Flow | Job, ...] = ()
         self.add_jobs(jobs)
@@ -190,7 +199,7 @@ class Flow(MSONable):
         if other not in self:
             raise ValueError(f"{other!r} not found in flow")
         new_flow = deepcopy(self)
-        new_flow.jobs = tuple([job for job in new_flow if job != other])
+        new_flow.jobs = tuple(job for job in new_flow if job != other)
         return new_flow
 
     def __repr__(self, level: int = 0, prefix: str = "") -> str:
@@ -608,9 +617,10 @@ class Flow(MSONable):
         function_filter: Callable = None,
         dict_mod: bool = False,
         dynamic: bool = True,
+        callback_filter: Callable[[Flow | Job], bool] | None = None,
     ):
         """
-        Update the metadata of all Jobs in the Flow.
+        Update the metadata of the Flow and/or its Jobs.
 
         Note that updates will be applied to jobs in nested Flow.
 
@@ -630,6 +640,10 @@ class Flow(MSONable):
         dynamic
             The updates will be propagated to Jobs/Flows dynamically generated at
             runtime.
+        callback_filter
+            A function that takes a Flow or Job instance and returns True if updates
+            should be applied to that instance. Allows for custom filtering logic.
+            Applies recursively to nested Flows and Jobs so best be specific.
 
         Examples
         --------
@@ -646,16 +660,45 @@ class Flow(MSONable):
         The ``metadata`` of both jobs could be updated as follows:
 
         >>> flow.update_metadata({"tag": "addition_job"})
+
+        Or using a callback filter to only update flows containing a specific maker:
+
+        >>> flow.update_metadata(
+        ...     {"material_id": 42},
+        ...     callback_filter=lambda flow: SomeMaker in map(type, flow)
+        ...     and flow.name == "flow name"
+        ... )
         """
-        for job in self:
-            job.update_metadata(
+        from jobflow.utils.dict_mods import apply_mod
+
+        for job_or_flow in self:
+            job_or_flow.update_metadata(
                 update,
                 name_filter=name_filter,
                 function_filter=function_filter,
                 dict_mod=dict_mod,
                 dynamic=dynamic,
+                callback_filter=callback_filter,
             )
 
+        if callback_filter is not None and callback_filter(self) is False:
+            return
+
+        if dict_mod:
+            apply_mod(update, self.metadata)
+        else:
+            self.metadata.update(update)
+
+        if dynamic:
+            dict_input = {
+                "update": update,
+                "name_filter": name_filter,
+                "function_filter": function_filter,
+                "dict_mod": dict_mod,
+                "callback_filter": callback_filter,
+            }
+            self.metadata_updates.append(dict_input)
+
     def update_config(
         self,
         config: jobflow.JobConfig | dict,

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/core/job.py

@@ -69,17 +69,22 @@ class JobConfig(MSONable):
 
 
 @overload
-def job(method: Callable = None) -> Callable[..., Job]:
+def job(method: Callable | None = None) -> Callable[..., Job]:
     pass
 
 
 @overload
-def job(method: Callable = None, **job_kwargs) -> Callable[..., Callable[..., Job]]:
+def job(method: Callable, **job_kwargs) -> Callable[..., Job]:
+    pass
+
+
+@overload
+def job(method: None = None, **job_kwargs) -> Callable[..., Callable[..., Job]]:
     pass
 
 
 def job(
-    method: Callable = None, **job_kwargs
+    method: Callable | None = None, **job_kwargs
 ) -> Callable[..., Job] | Callable[..., Callable[..., Job]]:
     """
     Wrap a function to produce a :obj:`Job`.
@@ -292,12 +297,12 @@ class Job(MSONable):
     --------
     Builtin functions such as :obj:`print` can be specified.
 
-    >>> print_task = Job(function=print, args=("I am a job", ))
+    >>> print_task = Job(function=print, function_args=("I am a job", ))
 
     Or other functions of the Python standard library.
 
     >>> import os
-    >>> Job(function=os.path.join, args=("folder", "filename.txt"))
+    >>> Job(function=os.path.join, function_args=("folder", "filename.txt"))
 
     To use custom functions, the functions should be importable (i.e. not
     defined in another function). For example, if the following function is defined
@@ -305,7 +310,7 @@ class Job(MSONable):
 
     >>> def add(a, b):
     ...     return a + b
-    >>> add_job = Job(function=add, args=(1, 2))
+    >>> add_job = Job(function=add, function_args=(1, 2))
 
     More details are given in the :obj:`job` decorator docstring.
 
@@ -338,7 +343,6 @@ class Job(MSONable):
         function_args = () if function_args is None else function_args
         function_kwargs = {} if function_kwargs is None else function_kwargs
         uuid = suid() if uuid is None else uuid
-        metadata = {} if metadata is None else metadata
         config = JobConfig() if config is None else config
 
         # make a deep copy of the function (means makers do not share the same instance)
@@ -349,7 +353,7 @@ class Job(MSONable):
         self.uuid = uuid
         self.index = index
         self.name = name
-        self.metadata = metadata
+        self.metadata = metadata or {}
         self.config = config
         self.hosts = hosts or []
         self.metadata_updates = metadata_updates or []
@@ -922,6 +926,7 @@ class Job(MSONable):
         function_filter: Callable = None,
         dict_mod: bool = False,
         dynamic: bool = True,
+        callback_filter: Callable[[jobflow.Flow | Job], bool] | None = None,
     ):
         """
         Update the metadata of the job.
@@ -945,6 +950,9 @@ class Job(MSONable):
         dynamic
             The updates will be propagated to Jobs/Flows dynamically generated at
             runtime.
+        callback_filter
+            A function that takes a Flow or Job instance and returns True if updates
+            should be applied to that instance. Allows for custom filtering logic.
 
         Examples
         --------
@@ -963,11 +971,16 @@ class Job(MSONable):
         will not only set the `example` metadata to the `test_job`, but also to all the
         new Jobs that will be generated at runtime by the ExampleMaker.
 
-        `update_metadata` can be called multiple times with different `name_filter` or
-        `function_filter` to control which Jobs will be updated.
+        `update_metadata` can be called multiple times with different filters to control
+        which Jobs will be updated. For example, using a callback filter:
 
-        At variance, if `dynamic` is set to `False` the `example` metadata will only be
-        added to the `test_job` and not to the generated Jobs.
+        >>> test_job.update_metadata(
+        ...     {"material_id": 42},
+        ...     callback_filter=lambda job: isinstance(job.maker, SomeMaker)
+        ... )
+
+        At variance, if `dynamic` is set to `False` the metadata will only be
+        added to the filtered Jobs and not to any generated Jobs.
         """
         from jobflow.utils.dict_mods import apply_mod
 
@@ -977,6 +990,7 @@ class Job(MSONable):
                 "name_filter": name_filter,
                 "function_filter": function_filter,
                 "dict_mod": dict_mod,
+                "callback_filter": callback_filter,
             }
             self.metadata_updates.append(dict_input)
 
@@ -984,7 +998,6 @@ class Job(MSONable):
         function_filter = getattr(function_filter, "__wrapped__", function_filter)
         function = getattr(self.function, "__wrapped__", self.function)
 
-        # if function_filter is not None and function_filter != self.function:
         if function_filter is not None and function_filter != function:
             return
 
@@ -993,6 +1006,9 @@ class Job(MSONable):
         ):
             return
 
+        if callback_filter is not None and callback_filter(self) is False:
+            return
+
         # if we get to here then we pass all the filters
         if dict_mod:
             apply_mod(update, self.metadata)
@@ -1249,7 +1265,7 @@ class Response(typing.Generic[T]):
                 job_returns.output = apply_schema(job_returns.output, output_schema)
 
             job_returns.job_dir = job_dir
-            return cast(Self, job_returns)
+            return cast("Self", job_returns)
 
         if isinstance(job_returns, (list, tuple)):
             # check that a Response object is not given as one of many outputs

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/core/maker.py

@@ -261,7 +261,7 @@ def recursive_call(
 
     if isinstance(class_filter, Maker):
         # Maker instance supplied rather than a Maker class
-        class_filter = class_filter.__class__
+        class_filter = class_filter.__class__  # type: ignore[assignment]
 
     def _filter(nested_obj: Maker):
         # Filter the Maker object

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/core/reference.py

@@ -513,7 +513,7 @@ def validate_schema_access(
         the bool is ``True`` if the schema access was valid.
         The BaseModel class associated with the item, if any.
     """
-    schema_dict = schema.schema()
+    schema_dict = schema.model_json_schema()
     if item not in schema_dict["properties"]:
         raise AttributeError(f"{schema.__name__} does not have attribute '{item}'.")
 

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/managers/local.py

@@ -15,7 +15,7 @@ logger = logging.getLogger(__name__)
 
 def run_locally(
     flow: jobflow.Flow | jobflow.Job | list[jobflow.Job],
-    log: bool = True,
+    log: bool | str = True,
     store: jobflow.JobStore | None = None,
     create_folders: bool = False,
     root_dir: str | Path | None = None,
@@ -30,8 +30,11 @@ def run_locally(
     ----------
     flow : Flow | Job | list[Job]
         A job or flow.
-    log : bool
-        Whether to print log messages.
+    log : bool | str
+        Controls logging. Defaults to True. Can be:
+        - False: disable logging
+        - True: use default logging format (read from ~/.jobflow.yaml)
+        - str: custom logging format string (e.g. "%(message)s" for more concise output)
     store : JobStore
         A job store. If a job store is not specified then
         :obj:`JobflowSettings.JOB_STORE` will be used. By default this is a maggma
@@ -46,7 +49,7 @@ def run_locally(
         Raise an error if the flow was not executed successfully.
     allow_external_references : bool
         If False all the references to other outputs should be from other Jobs
-        of the Flow.
+        of the same Flow.
     raise_immediately : bool
         If True, raise an exception immediately if a job fails. If False, continue
         running the flow and only raise an exception at the end if the flow did not
@@ -77,7 +80,7 @@ def run_locally(
     store.connect()
 
     if log:
-        initialize_logger()
+        initialize_logger(fmt=log if isinstance(log, str) else "")
 
     flow = get_flow(flow, allow_external_references=allow_external_references)
 

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/settings.py

@@ -11,6 +11,8 @@ from pydantic_settings import BaseSettings, SettingsConfigDict
 from jobflow import JobStore
 
 DEFAULT_CONFIG_FILE_PATH = Path("~/.jobflow.yaml").expanduser().as_posix()
+DEFAULT_LOG_FORMAT = "%(asctime)s %(levelname)s %(message)s"
+DEFAULT_DIRECTORY_FORMAT = "%Y-%m-%d-%H-%M-%S-%f"
 
 
 def _default_additional_store():
@@ -28,7 +30,7 @@ class JobflowSettings(BaseSettings):
     """
     Settings for jobflow.
 
-    The default way to modify these is to modify ~/.jobflow.yaml. Alternatively,
+    The default way to modify these is to create a ~/.jobflow.yaml. Alternatively,
     the environment variable ``JOBFLOW_CONFIG_FILE`` can be set to point to a yaml file
     with jobflow settings.
 
@@ -114,9 +116,18 @@ class JobflowSettings(BaseSettings):
         "accepted formats.",
     )
     DIRECTORY_FORMAT: str = Field(
-        "%Y-%m-%d-%H-%M-%S-%f",
+        DEFAULT_DIRECTORY_FORMAT,
         description="Date stamp format used to create directories",
     )
+    LOG_FORMAT: str = Field(
+        DEFAULT_LOG_FORMAT,
+        description="""Logging format string. Common format codes:
+    - %(message)s - The logged message
+    - %(asctime)s - Human-readable time
+    - %(levelname)s - DEBUG, INFO, WARNING, ERROR, or CRITICAL
+    - %(name)s - Logger name
+    See Python logging documentation for more format codes.""",
+    )
 
     UID_TYPE: str = Field(
         "uuid4", description="Type of unique identifier to use to track jobs. "

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/utils/graph.py

@@ -170,7 +170,7 @@ def to_pydot(flow: jobflow.Flow):
             if isinstance(job, Flow):
                 add_cluster(job, cluster)
             else:
-                cluster.add_node(pydot_graph.get_node(f'"{job.uuid}"')[0])
+                cluster.add_node(pydot_graph.get_node(f"{job.uuid}")[0])
 
         outer_graph.add_subgraph(cluster)
 

jobflow-0.2.0/src/jobflow/utils/log.py

@@ -0,0 +1,41 @@
+"""Tools for logging."""
+
+from __future__ import annotations
+
+import logging
+
+
+def initialize_logger(level: int = logging.INFO, fmt: str = "") -> logging.Logger:
+    """Initialize the default logger.
+
+    Parameters
+    ----------
+    level
+        The log level.
+    fmt
+        Custom logging format string. Defaults to JobflowSettings.LOG_FORMAT.
+        Common format codes:
+        - %(message)s - The logged message
+        - %(asctime)s - Human-readable time
+        - %(levelname)s - DEBUG, INFO, WARNING, ERROR, or CRITICAL
+        See Python logging documentation for more format codes.
+
+    Returns
+    -------
+    Logger
+        A logging instance with customized formatter and handlers.
+    """
+    import sys
+
+    from jobflow import SETTINGS
+
+    log = logging.getLogger("jobflow")
+    log.setLevel(level)
+    log.handlers = []  # reset logging handlers if they already exist
+
+    formatter = logging.Formatter(fmt or SETTINGS.LOG_FORMAT)
+
+    screen_handler = logging.StreamHandler(stream=sys.stdout)
+    screen_handler.setFormatter(formatter)
+    log.addHandler(screen_handler)
+    return log

{jobflow-0.1.18 → jobflow-0.2.0}/src/jobflow/utils/uuid.py

@@ -4,7 +4,10 @@ from monty.dev import deprecated
 
 
 @deprecated(
-    message="The UUID system will be replace with UID that contains both UUID and ULID."
+    message=(
+        "The UUID system will be replaced with a UID that "
+        "contains both the UUID and ULID."
+    )
 )
 def suuid() -> str:
     """

{jobflow-0.1.18 → jobflow-0.2.0/src/jobflow.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: jobflow
-Version: 0.1.18
+Version: 0.2.0
 Summary: jobflow is a library for writing computational workflows
 Author-email: Alex Ganose <a.ganose@imperial.ac.uk>
 License: modified BSD
@@ -17,11 +17,12 @@ Classifier: Operating System :: OS Independent
 Classifier: Programming Language :: Python :: 3
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
-Classifier: Programming Language :: Python :: 3.9
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
 Classifier: Topic :: Database :: Front-Ends
 Classifier: Topic :: Other/Nonlisted Topic
 Classifier: Topic :: Scientific/Engineering
-Requires-Python: >=3.9
+Requires-Python: >=3.10
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: PyYAML
@@ -34,39 +35,40 @@ Requires-Dist: pydash
 Provides-Extra: ulid
 Requires-Dist: python-ulid; extra == "ulid"
 Provides-Extra: docs
-Requires-Dist: autodoc_pydantic==2.1.0; extra == "docs"
-Requires-Dist: furo==2024.5.6; extra == "docs"
-Requires-Dist: ipython==8.26.0; extra == "docs"
-Requires-Dist: myst_parser==3.0.1; extra == "docs"
-Requires-Dist: nbsphinx==0.9.4; extra == "docs"
+Requires-Dist: autodoc_pydantic==2.2.0; extra == "docs"
+Requires-Dist: furo==2024.8.6; extra == "docs"
+Requires-Dist: ipython==9.3.0; extra == "docs"
+Requires-Dist: myst_parser==4.0.1; extra == "docs"
+Requires-Dist: nbsphinx==0.9.7; extra == "docs"
 Requires-Dist: sphinx-copybutton==0.5.2; extra == "docs"
-Requires-Dist: sphinx==7.4.4; extra == "docs"
+Requires-Dist: sphinx==8.1.3; extra == "docs"
 Provides-Extra: dev
 Requires-Dist: pre-commit>=2.12.1; extra == "dev"
 Requires-Dist: typing_extensions; python_version < "3.11" and extra == "dev"
 Provides-Extra: tests
-Requires-Dist: moto==4.2.13; extra == "tests"
-Requires-Dist: pytest-cov==5.0.0; extra == "tests"
-Requires-Dist: pytest==8.2.2; extra == "tests"
+Requires-Dist: moto==5.1.5; extra == "tests"
+Requires-Dist: pytest-cov==6.1.1; extra == "tests"
+Requires-Dist: pytest==8.4.0; extra == "tests"
 Provides-Extra: vis
 Requires-Dist: matplotlib; extra == "vis"
 Requires-Dist: pydot; extra == "vis"
 Provides-Extra: fireworks
 Requires-Dist: FireWorks; extra == "fireworks"
 Provides-Extra: strict
-Requires-Dist: FireWorks==2.0.3; extra == "strict"
-Requires-Dist: PyYAML==6.0.1; extra == "strict"
-Requires-Dist: maggma==0.69.0; extra == "strict"
-Requires-Dist: matplotlib==3.9.1; extra == "strict"
-Requires-Dist: monty==2024.7.12; extra == "strict"
-Requires-Dist: moto==4.2.13; extra == "strict"
-Requires-Dist: networkx==3.2.1; extra == "strict"
-Requires-Dist: pydantic-settings==2.3.4; extra == "strict"
-Requires-Dist: pydantic==2.8.2; extra == "strict"
-Requires-Dist: pydash==8.0.1; extra == "strict"
-Requires-Dist: pydot==2.0.0; extra == "strict"
-Requires-Dist: python-ulid==2.7.0; extra == "strict"
-Requires-Dist: typing-extensions==4.12.2; extra == "strict"
+Requires-Dist: FireWorks==2.0.4; extra == "strict"
+Requires-Dist: PyYAML==6.0.2; extra == "strict"
+Requires-Dist: maggma==0.71.5; extra == "strict"
+Requires-Dist: matplotlib==3.10.3; extra == "strict"
+Requires-Dist: monty==2025.3.3; extra == "strict"
+Requires-Dist: moto==5.1.5; extra == "strict"
+Requires-Dist: networkx==3.4.2; extra == "strict"
+Requires-Dist: pydantic-settings==2.9.1; extra == "strict"
+Requires-Dist: pydantic==2.11.5; extra == "strict"
+Requires-Dist: pydash==8.0.5; extra == "strict"
+Requires-Dist: pydot==4.0.0; extra == "strict"
+Requires-Dist: python-ulid==3.0.0; extra == "strict"
+Requires-Dist: typing-extensions==4.13.2; extra == "strict"
+Dynamic: license-file
 
 <div align="center">
 

jobflow-0.2.0/src/jobflow.egg-info/requires.txt

@@ -0,0 +1,52 @@
+PyYAML
+maggma>=0.57.0
+monty>=2023.9.25
+networkx
+pydantic-settings>=2.0.3
+pydantic>=2.0.1
+pydash
+
+[dev]
+pre-commit>=2.12.1
+
+[dev:python_version < "3.11"]
+typing_extensions
+
+[docs]
+autodoc_pydantic==2.2.0
+furo==2024.8.6
+ipython==9.3.0
+myst_parser==4.0.1
+nbsphinx==0.9.7
+sphinx-copybutton==0.5.2
+sphinx==8.1.3
+
+[fireworks]
+FireWorks
+
+[strict]
+FireWorks==2.0.4
+PyYAML==6.0.2
+maggma==0.71.5
+matplotlib==3.10.3
+monty==2025.3.3
+moto==5.1.5
+networkx==3.4.2
+pydantic-settings==2.9.1
+pydantic==2.11.5
+pydash==8.0.5
+pydot==4.0.0
+python-ulid==3.0.0
+typing-extensions==4.13.2
+
+[tests]
+moto==5.1.5
+pytest-cov==6.1.1
+pytest==8.4.0
+
+[ulid]
+python-ulid
+
+[vis]
+matplotlib
+pydot

jobflow-0.1.18/src/jobflow/utils/log.py

@@ -1,29 +0,0 @@
-"""Tools for logging."""
-
-import logging
-
-
-def initialize_logger(level: int = logging.INFO) -> logging.Logger:
-    """Initialize the default logger.
-
-    Parameters
-    ----------
-    level
-        The log level.
-
-    Returns
-    -------
-    Logger
-        A logging instance with customized formatter and handlers.
-    """
-    import sys
-
-    log = logging.getLogger("jobflow")
-    log.setLevel(level)
-    log.handlers = []  # reset logging handlers if they already exist
-
-    fmt = logging.Formatter("%(asctime)s %(levelname)s %(message)s")
-    screen_handler = logging.StreamHandler(stream=sys.stdout)
-    screen_handler.setFormatter(fmt)
-    log.addHandler(screen_handler)
-    return log

jobflow-0.1.18/src/jobflow.egg-info/requires.txt

@@ -1,52 +0,0 @@
-PyYAML
-maggma>=0.57.0
-monty>=2023.9.25
-networkx
-pydantic-settings>=2.0.3
-pydantic>=2.0.1
-pydash
-
-[dev]
-pre-commit>=2.12.1
-
-[dev:python_version < "3.11"]
-typing_extensions
-
-[docs]
-autodoc_pydantic==2.1.0
-furo==2024.5.6
-ipython==8.26.0
-myst_parser==3.0.1
-nbsphinx==0.9.4
-sphinx-copybutton==0.5.2
-sphinx==7.4.4
-
-[fireworks]
-FireWorks
-
-[strict]
-FireWorks==2.0.3
-PyYAML==6.0.1
-maggma==0.69.0
-matplotlib==3.9.1
-monty==2024.7.12
-moto==4.2.13
-networkx==3.2.1
-pydantic-settings==2.3.4
-pydantic==2.8.2
-pydash==8.0.1
-pydot==2.0.0
-python-ulid==2.7.0
-typing-extensions==4.12.2
-
-[tests]
-moto==4.2.13
-pytest-cov==5.0.0
-pytest==8.2.2
-
-[ulid]
-python-ulid
-
-[vis]
-matplotlib
-pydot