jobflow 0.1.16__py3-none-any.whl → 0.1.18__py3-none-any.whl

jobflow/core/flow.py

@@ -11,7 +11,7 @@ from monty.json import MSONable
 
 import jobflow
 from jobflow.core.reference import find_and_get_references
-from jobflow.utils import ValueEnum, contains_flow_or_job, suuid
+from jobflow.utils import ValueEnum, contains_flow_or_job, suid
 
 if TYPE_CHECKING:
     from collections.abc import Iterator, Sequence
@@ -135,7 +135,7 @@ class Flow(MSONable):
             jobs = [jobs]
 
         if uuid is None:
-            uuid = suuid()
+            uuid = suid()
 
         self.name = name
         self.order = order
@@ -158,9 +158,8 @@ class Flow(MSONable):
         self, idx: int | slice, value: Flow | Job | Sequence[Flow | Job]
     ) -> None:
         """Set the job(s) or subflow(s) at the given index/slice."""
-        if (
-            not isinstance(value, (Flow, jobflow.Job, tuple, list))
-            or isinstance(value, (tuple, list))
+        if not isinstance(value, (Flow, jobflow.Job, tuple, list)) or (
+            isinstance(value, (tuple, list))
             and not all(isinstance(v, (Flow, jobflow.Job)) for v in value)
         ):
             raise TypeError(
@@ -583,7 +582,7 @@ class Flow(MSONable):
                 dict_mod=dict_mod,
             )
 
-    def append_name(self, append_str: str, prepend: bool = False):
+    def append_name(self, append_str: str, prepend: bool = False, dynamic: bool = True):
         """
         Append a string to the name of the flow and all jobs contained in it.
 
@@ -600,7 +599,7 @@ class Flow(MSONable):
             self.name += append_str
 
         for job in self:
-            job.append_name(append_str, prepend=prepend)
+            job.append_name(append_str, prepend=prepend, dynamic=dynamic)
 
     def update_metadata(
         self,

jobflow/core/job.py

@@ -6,14 +6,17 @@ import logging
 import typing
 import warnings
 from dataclasses import dataclass, field
+from typing import cast, overload
 
 from monty.json import MSONable, jsanitize
+from typing_extensions import Self
 
 from jobflow.core.reference import OnMissing, OutputReference
-from jobflow.utils.uuid import suuid
+from jobflow.utils.uid import suid
 
 if typing.TYPE_CHECKING:
     from collections.abc import Hashable, Sequence
+    from pathlib import Path
     from typing import Any, Callable
 
     from networkx import DiGraph
@@ -65,7 +68,19 @@ class JobConfig(MSONable):
     response_manager_config: dict = field(default_factory=dict)
 
 
-def job(method: Callable = None, **job_kwargs):
+@overload
+def job(method: Callable = None) -> Callable[..., Job]:
+    pass
+
+
+@overload
+def job(method: Callable = None, **job_kwargs) -> Callable[..., Callable[..., Job]]:
+    pass
+
+
+def job(
+    method: Callable = None, **job_kwargs
+) -> Callable[..., Job] | Callable[..., Callable[..., Job]]:
     """
     Wrap a function to produce a :obj:`Job`.
 
@@ -313,6 +328,7 @@ class Job(MSONable):
         hosts: list[str] = None,
         metadata_updates: list[dict[str, Any]] = None,
         config_updates: list[dict[str, Any]] = None,
+        name_updates: list[dict[str, Any]] = None,
         **kwargs,
     ):
         from copy import deepcopy
@@ -321,7 +337,7 @@ class Job(MSONable):
 
         function_args = () if function_args is None else function_args
         function_kwargs = {} if function_kwargs is None else function_kwargs
-        uuid = suuid() if uuid is None else uuid
+        uuid = suid() if uuid is None else uuid
         metadata = {} if metadata is None else metadata
         config = JobConfig() if config is None else config
 
@@ -337,6 +353,7 @@ class Job(MSONable):
         self.config = config
         self.hosts = hosts or []
         self.metadata_updates = metadata_updates or []
+        self.name_updates = name_updates or []
         self.config_updates = config_updates or []
         self._kwargs = kwargs
 
@@ -526,7 +543,7 @@ class Job(MSONable):
         self.uuid = uuid
         self.output = self.output.set_uuid(uuid)
 
-    def run(self, store: jobflow.JobStore) -> Response:
+    def run(self, store: jobflow.JobStore, job_dir: Path = None) -> Response:
         """
         Run the job.
 
@@ -581,7 +598,9 @@ class Job(MSONable):
             function = types.MethodType(function, bound)
 
         response = function(*self.function_args, **self.function_kwargs)
-        response = Response.from_job_returns(response, self.output_schema)
+        response = Response.from_job_returns(
+            response, self.output_schema, job_dir=job_dir
+        )
 
         if response.replace is not None:
             response.replace = prepare_replace(response.replace, self)
@@ -604,6 +623,8 @@ class Job(MSONable):
                     new_jobs.update_metadata(**metadata_update, dynamic=True)
                 for config_update in self.config_updates:
                     new_jobs.update_config(**config_update, dynamic=True)
+                for name_update in self.name_updates:
+                    new_jobs.append_name(**name_update, dynamic=True)
 
         if self.config.response_manager_config:
             passed_config = self.config.response_manager_config
@@ -872,7 +893,7 @@ class Job(MSONable):
                         dict_mod=dict_mod,
                     )
 
-    def append_name(self, append_str: str, prepend: bool = False):
+    def append_name(self, append_str: str, prepend: bool = False, dynamic: bool = True):
         """
         Append a string to the name of the job.
 
@@ -882,12 +903,18 @@ class Job(MSONable):
             A string to append.
         prepend
             Prepend the name rather than appending it.
+        dynamic
+            The updates will be propagated to Jobs/Flows dynamically generated at
+            runtime.
         """
         if prepend:
             self.name = append_str + self.name
         else:
             self.name += append_str
 
+        if dynamic:
+            self.name_updates.append({"append_str": append_str, "prepend": prepend})
+
     def update_metadata(
         self,
         update: dict[str, Any],
@@ -1134,8 +1161,8 @@ class Job(MSONable):
         prepend
             Insert the UUIDs at the beginning of the list rather than extending it.
         """
-        if not isinstance(hosts_uuids, (list, tuple)):
-            hosts_uuids = [hosts_uuids]  # type: ignore
+        if isinstance(hosts_uuids, str):
+            hosts_uuids = [hosts_uuids]
         if prepend:
             self.hosts[0:0] = hosts_uuids
         else:
@@ -1170,6 +1197,8 @@ class Response(typing.Generic[T]):
         Stop any children of the current flow.
     stop_jobflow
         Stop executing all remaining jobs.
+    job_dir
+        The directory where the job was run.
     """
 
     output: T = None
@@ -1179,13 +1208,15 @@ class Response(typing.Generic[T]):
     stored_data: dict[Hashable, Any] = None
     stop_children: bool = False
     stop_jobflow: bool = False
+    job_dir: str | Path = None
 
     @classmethod
     def from_job_returns(
         cls,
         job_returns: Any | None,
         output_schema: type[BaseModel] = None,
-    ) -> Response:
+        job_dir: str | Path = None,
+    ) -> Self:
         """
         Generate a :obj:`Response` from the outputs of a :obj:`Job`.
 
@@ -1199,6 +1230,8 @@ class Response(typing.Generic[T]):
         output_schema
             A pydantic model associated with the job. Used to enforce a schema for the
             outputs.
+        job_dir
+            The directory where the job was run.
 
         Raises
         ------
@@ -1215,17 +1248,18 @@ class Response(typing.Generic[T]):
                 # only apply output schema if there is no replace.
                 job_returns.output = apply_schema(job_returns.output, output_schema)
 
-            return job_returns
+            job_returns.job_dir = job_dir
+            return cast(Self, job_returns)
 
         if isinstance(job_returns, (list, tuple)):
             # check that a Response object is not given as one of many outputs
-            for r in job_returns:
-                if isinstance(r, Response):
+            for resp in job_returns:
+                if isinstance(resp, Response):
                     raise ValueError(
                         "Response cannot be returned in combination with other outputs."
                     )
 
-        return cls(output=apply_schema(job_returns, output_schema))
+        return cls(output=apply_schema(job_returns, output_schema), job_dir=job_dir)
 
 
 def apply_schema(output: Any, schema: type[BaseModel] | None):

jobflow/core/maker.py

@@ -269,9 +269,7 @@ def recursive_call(
             return False
         if name_filter is not None and name_filter not in nested_obj.name:
             return False
-        if class_filter is not None and not isinstance(nested_obj, class_filter):
-            return False
-        return True
+        return class_filter is None or isinstance(nested_obj, class_filter)
 
     d = obj.as_dict()
 

jobflow/core/reference.py

@@ -82,7 +82,7 @@ class OutputReference(MSONable):
     OutputReference(1234, ['key'], [0], .value)
     """
 
-    __slots__ = ("uuid", "attributes", "output_schema")
+    __slots__ = ("attributes", "output_schema", "uuid")
 
     def __init__(
         self,

jobflow/core/store.py

@@ -17,6 +17,7 @@ if typing.TYPE_CHECKING:
     from typing import Any, Optional, Union
 
     from maggma.core import Sort
+    from typing_extensions import Self
 
     from jobflow.core.schemas import JobStoreDocument
 
@@ -545,9 +546,9 @@ class JobStore(Store):
         )
 
     @classmethod
-    def from_file(cls: type[T], db_file: str | Path, **kwargs) -> T:
+    def from_file(cls, db_file: str | Path, **kwargs) -> Self:
         """
-        Create an JobStore from a database file.
+        Create a JobStore from a database file.
 
         Two options are supported for the database file. The file should be in json or
         yaml format.
@@ -555,7 +556,7 @@ class JobStore(Store):
         The simplest format is a monty dumped version of the store, generated using:
 
         >>> from monty.serialization import dumpfn
-        >>> dumpfn("job_store.yaml", job_store)
+        >>> dumpfn(job_store, "job_store.yaml")
 
         Alternatively, the file can contain the keys docs_store, additional_stores and
         any other keyword arguments supported by the :obj:`JobStore` constructor. The
@@ -605,7 +606,7 @@ class JobStore(Store):
         return cls.from_dict_spec(store_info, **kwargs)
 
     @classmethod
-    def from_dict_spec(cls: type[T], spec: dict, **kwargs) -> T:
+    def from_dict_spec(cls, spec: dict, **kwargs) -> Self:
         """
         Create an JobStore from a dict specification.
 
@@ -786,7 +787,7 @@ def _filter_blobs(
 
 
 def _get_blob_info(obj: Any, store_name: str) -> dict[str, str]:
-    from jobflow.utils.uuid import suuid
+    from jobflow.utils.uid import suid
 
     class_name = ""
     module_name = ""
@@ -797,6 +798,6 @@ def _get_blob_info(obj: Any, store_name: str) -> dict[str, str]:
     return {
         "@class": class_name,
         "@module": module_name,
-        "blob_uuid": suuid(),
+        "blob_uuid": suid(),
         "store": store_name,
     }

jobflow/managers/fireworks.py

@@ -5,6 +5,8 @@ from __future__ import annotations
 import typing
 
 from fireworks import FiretaskBase, Firework, FWAction, Workflow, explicit_serialize
+from fireworks.utilities.fw_serializers import recursive_serialize, serialize_fw
+from monty.json import jsanitize
 
 if typing.TYPE_CHECKING:
     from collections.abc import Sequence
@@ -197,3 +199,16 @@ class JobFiretask(FiretaskBase):
             defuse_workflow=response.stop_jobflow,
             defuse_children=response.stop_children,
         )
+
+    @serialize_fw
+    @recursive_serialize
+    def to_dict(self) -> dict:
+        """
+        Serialize version of the FireTask.
+
+        Overrides the original method to explicitly jsanitize the Job
+        to handle cases not properly handled by fireworks, like a Callable.
+        """
+        d = dict(self)
+        d["job"] = jsanitize(d["job"].as_dict())
+        return d

jobflow/managers/local.py

@@ -16,11 +16,12 @@ logger = logging.getLogger(__name__)
 def run_locally(
     flow: jobflow.Flow | jobflow.Job | list[jobflow.Job],
     log: bool = True,
-    store: jobflow.JobStore = None,
+    store: jobflow.JobStore | None = None,
     create_folders: bool = False,
     root_dir: str | Path | None = None,
     ensure_success: bool = False,
     allow_external_references: bool = False,
+    raise_immediately: bool = False,
 ) -> dict[str, dict[int, jobflow.Response]]:
     """
     Run a :obj:`Job` or :obj:`Flow` locally.
@@ -46,6 +47,10 @@ def run_locally(
     allow_external_references : bool
         If False all the references to other outputs should be from other Jobs
         of the 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
+        finish running successfully.
 
     Returns
     -------
@@ -53,7 +58,7 @@ def run_locally(
         The responses of the jobs, as a dict of ``{uuid: {index: response}}``.
     """
     from collections import defaultdict
-    from datetime import datetime
+    from datetime import datetime, timezone
     from pathlib import Path
     from random import randint
 
@@ -102,14 +107,19 @@ def run_locally(
             errored.add(job.uuid)
             return None, False
 
-        try:
+        if raise_immediately:
             response = job.run(store=store)
-        except Exception:
-            import traceback
-
-            logger.info(f"{job.name} failed with exception:\n{traceback.format_exc()}")
-            errored.add(job.uuid)
-            return None, False
+        else:
+            try:
+                response = job.run(store=store)
+            except Exception:
+                import traceback
+
+                logger.info(
+                    f"{job.name} failed with exception:\n{traceback.format_exc()}"
+                )
+                errored.add(job.uuid)
+                return None, False
 
         responses[job.uuid][job.index] = response
 
@@ -142,7 +152,7 @@ def run_locally(
 
     def _get_job_dir():
         if create_folders:
-            time_now = datetime.utcnow().strftime(SETTINGS.DIRECTORY_FORMAT)
+            time_now = datetime.now(tz=timezone.utc).strftime(SETTINGS.DIRECTORY_FORMAT)
             job_dir = root_dir / f"job_{time_now}-{randint(10000, 99999)}"
             job_dir.mkdir()
             return job_dir
@@ -155,6 +165,8 @@ def run_locally(
             with cd(job_dir):
                 response, jobflow_stopped = _run_job(job, parents)
 
+            if response is not None:
+                response.job_dir = job_dir
             encountered_bad_response = encountered_bad_response or response is None
             if jobflow_stopped:
                 return False

jobflow/settings.py

@@ -117,6 +117,11 @@ class JobflowSettings(BaseSettings):
         "%Y-%m-%d-%H-%M-%S-%f",
         description="Date stamp format used to create directories",
     )
+
+    UID_TYPE: str = Field(
+        "uuid4", description="Type of unique identifier to use to track jobs. "
+    )
+
     model_config = SettingsConfigDict(env_prefix="jobflow_")
 
     @model_validator(mode="before")

jobflow/utils/__init__.py

@@ -1,4 +1,5 @@
 """Utility functions for logging, enumerations and manipulating dictionaries."""
+
 from jobflow.utils.enum import ValueEnum
 from jobflow.utils.find import (
     contains_flow_or_job,
@@ -7,4 +8,5 @@ from jobflow.utils.find import (
     update_in_dictionary,
 )
 from jobflow.utils.log import initialize_logger
+from jobflow.utils.uid import suid
 from jobflow.utils.uuid import suuid

jobflow/utils/uid.py

@@ -0,0 +1,115 @@
+"""Tools for generating UUIDs."""
+
+from __future__ import annotations
+
+from uuid import UUID
+
+try:  # pragma: no cover
+    from ulid import ULID
+except ImportError:  # pragma: no cover
+    err_msg = (
+        "The ulid package is not installed. "
+        "Install it with `pip install jobflow[ulid]` or `pip install python-ulid`."
+    )
+
+    class ULID:  # type: ignore[no-redef]
+        """Fake ULID class for raising import error."""
+
+        def __init__(self, *args, **kwargs):
+            raise ImportError(err_msg)
+
+        def from_str(self, *args, **kwargs):
+            """Raise import error."""
+            raise ImportError(err_msg)
+
+
+def suid(id_type: str | None = None) -> str:
+    """Generate a string UUID (universally unique identifier).
+
+    Since the timestamp of the IDs are important for sorting,
+    only id types that include a timestamp are supported.
+
+    Parameters
+    ----------
+    uuid_type:
+        The type of UUID to generate.
+        In the future, ``uuid7`` and ``ulid`` may be supported.
+
+    Returns
+    -------
+    str
+        A UUID.
+    """
+    import uuid
+
+    from jobflow import SETTINGS
+
+    if id_type is None:
+        id_type = SETTINGS.UID_TYPE
+
+    funcs = {
+        "uuid1": uuid.uuid1,
+        "uuid4": uuid.uuid4,
+        "ulid": ULID,
+    }
+    if id_type not in funcs:
+        raise ValueError(f"UUID type {id_type} not supported.")
+    return str(funcs[id_type]())
+
+
+def get_timestamp_from_uid(uid: str) -> float:
+    """
+    Get the time that a UID was generated.
+
+    Parameters
+    ----------
+    uuid
+        A UUID.
+
+    Returns
+    -------
+    float
+        The time stamp from the UUID.
+    """
+    id_type = _get_id_type(uid)
+    if id_type == "uuid4":
+        raise ValueError(
+            "UUID4 is randomly generated and not associated with a time stamp."
+        )
+    funcs = {
+        "uuid1": lambda uuid: (UUID(uuid).time - 0x01B21DD213814000) / 1e7,
+        "ulid": lambda uuid: ULID.from_str(uuid).timestamp,
+    }
+    return funcs[id_type](uid)
+
+
+def _get_id_type(uid: str) -> str:
+    """
+    Get the type of a UUID.
+
+    Parameters
+    ----------
+    uuid
+        A UUID.
+
+    Returns
+    -------
+    str
+        The type of the UUID.
+    """
+    try:
+        version = UUID(uid).version
+        return {
+            1: "uuid1",
+            4: "uuid4",
+        }[version]
+    except ValueError:
+        pass
+
+    try:
+        ULID.from_str(uid)
+        return "ulid"
+    except ValueError:
+        pass
+
+    raise ValueError(f"ID type for {uid} not recognized.")

jobflow/utils/uuid.py

@@ -1,6 +1,11 @@
 """Tools for generating UUIDs."""
 
+from monty.dev import deprecated
 
+
+@deprecated(
+    message="The UUID system will be replace with UID that contains both UUID and ULID."
+)
 def suuid() -> str:
     """
     Generate a string UUID (universally unique identifier).

{jobflow-0.1.16.dist-info → jobflow-0.1.18.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: jobflow
-Version: 0.1.16
+Version: 0.1.18
 Summary: jobflow is a library for writing computational workflows
 Author-email: Alex Ganose <a.ganose@imperial.ac.uk>
 License: modified BSD
@@ -33,49 +33,59 @@ Requires-Dist: pydantic >=2.0.1
 Requires-Dist: pydash
 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: docs
-Requires-Dist: autodoc-pydantic ==2.0.1 ; extra == 'docs'
-Requires-Dist: furo ==2023.9.10 ; extra == 'docs'
-Requires-Dist: ipython ==8.19.0 ; extra == 'docs'
-Requires-Dist: myst-parser ==2.0.0 ; extra == 'docs'
-Requires-Dist: nbsphinx ==0.9.3 ; 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: sphinx-copybutton ==0.5.2 ; extra == 'docs'
-Requires-Dist: sphinx ==7.2.6 ; extra == 'docs'
+Requires-Dist: sphinx ==7.4.4 ; extra == 'docs'
 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 ==0.60.0 ; extra == 'strict'
-Requires-Dist: matplotlib ==3.8.2 ; extra == 'strict'
-Requires-Dist: monty ==2023.11.3 ; extra == 'strict'
-Requires-Dist: moto ==4.2.12 ; 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 ==2.1.0 ; extra == 'strict'
-Requires-Dist: pydantic ==2.5.3 ; extra == 'strict'
-Requires-Dist: pydash ==7.0.6 ; 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: typing-extensions ==4.9.0 ; extra == 'strict'
+Requires-Dist: python-ulid ==2.7.0 ; extra == 'strict'
+Requires-Dist: typing-extensions ==4.12.2 ; extra == 'strict'
 Provides-Extra: tests
-Requires-Dist: moto ==4.2.12 ; extra == 'tests'
-Requires-Dist: pytest-cov ==4.1.0 ; extra == 'tests'
-Requires-Dist: pytest ==7.4.4 ; 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'
+Provides-Extra: ulid
+Requires-Dist: python-ulid ; extra == 'ulid'
 Provides-Extra: vis
 Requires-Dist: matplotlib ; extra == 'vis'
 Requires-Dist: pydot ; extra == 'vis'
 
-# jobflow
+<div align="center">
+
+# ![Jobflow](docs/_static/img/jobflow_logo.svg)
 
 [![tests](https://img.shields.io/github/actions/workflow/status/materialsproject/jobflow/testing.yml?branch=main&label=tests)](https://github.com/materialsproject/jobflow/actions?query=workflow%3Atesting)
 [![code coverage](https://img.shields.io/codecov/c/gh/materialsproject/jobflow/main)](https://codecov.io/gh/materialsproject/jobflow/)
 [![pypi version](https://img.shields.io/pypi/v/jobflow?color=blue)](https://pypi.org/project/jobflow/)
 ![supported python versions](https://img.shields.io/pypi/pyversions/jobflow)
+[![DOI](https://joss.theoj.org/papers/10.21105/joss.05995/status.svg)](https://doi.org/10.21105/joss.05995)
+
+</div>
 
-[Documentation](https://materialsproject.github.io/jobflow/) | [PyPI](https://pypi.org/project/jobflow/) | [GitHub](https://github.com/materialsproject/jobflow)
+[Documentation](https://materialsproject.github.io/jobflow/) | [PyPI](https://pypi.org/project/jobflow/) | [GitHub](https://github.com/materialsproject/jobflow) | [Paper](https://doi.org/10.21105/joss.05995)
 
 Jobflow is a free, open-source library for writing and executing workflows. Complex
 workflows can be defined using simple python functions and executed locally or on
-arbitrary computing resources using the [FireWorks][fireworks] workflow manager.
+arbitrary computing resources using the [jobflow-remote][jfr] or [FireWorks][fireworks]
+workflow managers.
 
 Some features that distinguish jobflow are dynamic workflows, easy compositing and
 connecting of workflows, and the ability to store workflow outputs across multiple
@@ -94,7 +104,7 @@ Some of its features include:
   way to build complex workflows.
 - Integration with multiple databases (MongoDB, S3, GridFS, and more) through the
   [Maggma][maggma] package.
-- Support for the [FireWorks][fireworks] workflow management system, allowing workflow
+- Support for the [jobflow-remote][jfr] and [FireWorks][fireworks] workflow management systems, allowing workflow
   execution on multicore machines or through a queue, on a single machine or multiple
   machines.
 - Support for dynamic workflows — workflows that modify themselves or create new ones
@@ -176,12 +186,19 @@ We maintain a list of all contributors [here][contributors].
 
 jobflow is released under a modified BSD license; the full text can be found [here][license].
 
+## Citation
+
+If you use Jobflow in your work, please cite it as follows:
+
+- "Jobflow: Computational Workflows Made Simple", A.S. Rosen, M. Gallant, J. George, J. Riebesell, H. Sahasrabuddhe, J.X. Shen, M. Wen, M.L. Evans, G. Petretto, D. Waroquiers, G.‑M. Rignanese, K.A. Persson, A. Jain, A.M. Ganose, _Journal of Open Source Software_, 9(93), 5995 (2024) DOI: [10.21105/joss.05995](https://doi.org/10.21105/joss.05995)
+
 ## Acknowledgements
 
 Jobflow was designed by Alex Ganose, Anubhav Jain, Gian-Marco Rignanese, David Waroquiers, and Guido Petretto. Alex Ganose implemented the first version of the package. Later versions have benefited from the contributions of several research groups. A full list of contributors is available [here](https://materialsproject.github.io/jobflow/contributors.html).
 
 [maggma]: https://materialsproject.github.io/maggma/
 [fireworks]: https://materialsproject.github.io/fireworks/
+[jfr]: https://matgenix.github.io/jobflow-remote
 [help-forum]: https://matsci.org/c/fireworks
 [issues]: https://github.com/materialsproject/jobflow/issues
 [changelog]: https://materialsproject.github.io/jobflow/changelog.html

jobflow-0.1.18.dist-info/RECORD

@@ -0,0 +1,28 @@
+jobflow/__init__.py,sha256=l7o10BaqEQWw5aZziWRg40PsIAgQ4lrlluXs9hIv2mg,570
+jobflow/_version.py,sha256=Ym07PBD7sAmpqVpX8tuzWma3P_Hv6KXbDKXWkw8OwaI,205
+jobflow/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+jobflow/settings.py,sha256=2tG3FKGTkCDgguwQZrgSt36Ll86nn4ET8ukBr2IN8Ys,5614
+jobflow/core/__init__.py,sha256=3sx5t1Gysejc4c_fPrhvCjPUg0p_384Zko8ms2c_NnY,98
+jobflow/core/flow.py,sha256=SEWCcw8Vs-2jRK_py720nD5SmSHh2vNtOh-LW4vu500,28939
+jobflow/core/job.py,sha256=ZzlWMaTNNM5d3OaE7KDDi2jWyKNfdNNdGnnCOWKQRH8,47595
+jobflow/core/maker.py,sha256=V48-StHQn7S0pFlxm281hQ0TDxQEm7BqQZ6ZuGRrB6A,11134
+jobflow/core/reference.py,sha256=hLuuxQcXwMCEQk-N3jpvxnWfxJZ4OFtxK4Fb-PXMJNk,17090
+jobflow/core/schemas.py,sha256=Oi5-PnZpI8S9jSY7Q4f8H7xUybbRZDXlgugeVewVsrA,968
+jobflow/core/state.py,sha256=IGJTtmpotDKEcgDEnsT5x20ZeyvQT68Mr3teTjkgYnM,709
+jobflow/core/store.py,sha256=PAtAhZTLU1b17OD66rqlo8_JP1p-IzH8c2WJwWd1Q2o,26997
+jobflow/managers/__init__.py,sha256=KkA5cVDe2os2_2aTa8eiB9SnkGLZNybcci-Lo4tbaWM,55
+jobflow/managers/fireworks.py,sha256=xKPcL1BX59jnF6LpyEwcsxvCCShLqep-9UHRyv9FmYE,7146
+jobflow/managers/local.py,sha256=hVTYwwC5oxF_lMMw85xNDECI3wu-rGzJUJkQtPB_TxY,5880
+jobflow/utils/__init__.py,sha256=XrA5IQ2Zm6unFRzgA58Ip9CIPchnlXm8Ei-Ny20f6NA,364
+jobflow/utils/dict_mods.py,sha256=g50aMw-mK3RjXp_hHJBR9xUaWRYXoqqmPTMCPDDluz4,6052
+jobflow/utils/enum.py,sha256=_buiq0NuwyYe82Ajd5-8Pjx9J63XcDDeIvLDS4evM1s,713
+jobflow/utils/find.py,sha256=J57_xQ9boWVVqpbSfTECuZ3TinEXKN24LO4YWIB-7T4,6149
+jobflow/utils/graph.py,sha256=UjwEklPvFz3oTiSY3E_ElYZz21ePY0xLaT7nqWDVfpI,6598
+jobflow/utils/log.py,sha256=tIMpsI4JTlkpxjBZfWqZ0qkEkIxk1-RBasz8JhDcF7E,692
+jobflow/utils/uid.py,sha256=hNkpJ5AYhKd_sPWE_iGPcn6YD_AyizKX_swWksFr-_M,2537
+jobflow/utils/uuid.py,sha256=-cN3NpxiZuQMjl_0wq5h8ZjTYpf5o4-o2QQ5g9E7vQM,406
+jobflow-0.1.18.dist-info/LICENSE,sha256=jUEiENfZNQZh9RE9ixtUWgVkLRD85ScZ6iv1WREf19w,2418
+jobflow-0.1.18.dist-info/METADATA,sha256=w4Umy_IlAZmdPyFZ6srSDj_E8cYUoqp_eZaCvyCMwrM,10003
+jobflow-0.1.18.dist-info/WHEEL,sha256=Wyh-_nZ0DJYolHNn1_hMa4lM7uDedD_RGVwbmTjyItk,91
+jobflow-0.1.18.dist-info/top_level.txt,sha256=IanNooU88OupQPDrWnT0rbL3E27P2wEy7Jsfx9_j8zc,8
+jobflow-0.1.18.dist-info/RECORD,,

{jobflow-0.1.16.dist-info → jobflow-0.1.18.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: bdist_wheel (0.42.0)
+Generator: setuptools (71.1.0)
 Root-Is-Purelib: true
 Tag: py3-none-any
 

jobflow-0.1.16.dist-info/RECORD

@@ -1,27 +0,0 @@
-jobflow/__init__.py,sha256=l7o10BaqEQWw5aZziWRg40PsIAgQ4lrlluXs9hIv2mg,570
-jobflow/_version.py,sha256=Ym07PBD7sAmpqVpX8tuzWma3P_Hv6KXbDKXWkw8OwaI,205
-jobflow/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-jobflow/settings.py,sha256=UaLqno9bBoTcpWhzke8y4exZ_byMn0mPFhra5ediG98,5499
-jobflow/core/__init__.py,sha256=3sx5t1Gysejc4c_fPrhvCjPUg0p_384Zko8ms2c_NnY,98
-jobflow/core/flow.py,sha256=5OIRoNCjqt9ThSWM_92P9b88zf5tNzXkQYOwwK2heqI,28914
-jobflow/core/job.py,sha256=ppngMjEcctyBxT1vi-us7dnHL2ILKJuMbo3irvfIBcE,46491
-jobflow/core/maker.py,sha256=DKfFXe91v9rRFtgUrm8FMiEcLArmb6jnK7nysuDdZts,11185
-jobflow/core/reference.py,sha256=sPhV3_q8Ru-8xIoryKY8Y9oQN-1cAGVvnY08tgSAxwk,17090
-jobflow/core/schemas.py,sha256=Oi5-PnZpI8S9jSY7Q4f8H7xUybbRZDXlgugeVewVsrA,968
-jobflow/core/state.py,sha256=IGJTtmpotDKEcgDEnsT5x20ZeyvQT68Mr3teTjkgYnM,709
-jobflow/core/store.py,sha256=KyM6kQms01uAxYOboIuhyaFj2x75xd3-0LOpNdicjcA,26974
-jobflow/managers/__init__.py,sha256=KkA5cVDe2os2_2aTa8eiB9SnkGLZNybcci-Lo4tbaWM,55
-jobflow/managers/fireworks.py,sha256=5IKDkE-dppvbhDWTfJKCMmqvxg50zBgCqm6qUqsVZtc,6654
-jobflow/managers/local.py,sha256=VJ36WANrRtWml1YLrz4nYZLfD3pVL1K0JkpajE589W4,5347
-jobflow/utils/__init__.py,sha256=meuvfuk05U594rx4YB6BoBnoQxBMjCA2hKX3TSfZsB8,328
-jobflow/utils/dict_mods.py,sha256=g50aMw-mK3RjXp_hHJBR9xUaWRYXoqqmPTMCPDDluz4,6052
-jobflow/utils/enum.py,sha256=_buiq0NuwyYe82Ajd5-8Pjx9J63XcDDeIvLDS4evM1s,713
-jobflow/utils/find.py,sha256=J57_xQ9boWVVqpbSfTECuZ3TinEXKN24LO4YWIB-7T4,6149
-jobflow/utils/graph.py,sha256=UjwEklPvFz3oTiSY3E_ElYZz21ePY0xLaT7nqWDVfpI,6598
-jobflow/utils/log.py,sha256=tIMpsI4JTlkpxjBZfWqZ0qkEkIxk1-RBasz8JhDcF7E,692
-jobflow/utils/uuid.py,sha256=lVgo8e8gUB7HLSR0H_9uZH-OPkVBaOT39atAnNKYAaI,268
-jobflow-0.1.16.dist-info/LICENSE,sha256=jUEiENfZNQZh9RE9ixtUWgVkLRD85ScZ6iv1WREf19w,2418
-jobflow-0.1.16.dist-info/METADATA,sha256=5yXZgT67ziHmUVmP0E6XI7JYjXcf0znPoyE8-BUj8F4,9053
-jobflow-0.1.16.dist-info/WHEEL,sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM,92
-jobflow-0.1.16.dist-info/top_level.txt,sha256=IanNooU88OupQPDrWnT0rbL3E27P2wEy7Jsfx9_j8zc,8
-jobflow-0.1.16.dist-info/RECORD,,