jobflow 0.1.19__py3-none-any.whl → 0.2.1__py3-none-any.whl

jobflow/core/flow.py

@@ -617,7 +617,7 @@ class Flow(MSONable):
         function_filter: Callable = None,
         dict_mod: bool = False,
         dynamic: bool = True,
-        callback_filter: Callable[[Flow | Job], bool] = lambda _: True,
+        callback_filter: Callable[[Flow | Job], bool] | None = None,
     ):
         """
         Update the metadata of the Flow and/or its Jobs.
@@ -681,7 +681,7 @@ class Flow(MSONable):
                 callback_filter=callback_filter,
             )
 
-        if callback_filter(self) is False:
+        if callback_filter is not None and callback_filter(self) is False:
             return
 
         if dict_mod:
@@ -706,6 +706,7 @@ class Flow(MSONable):
         function_filter: Callable = None,
         attributes: list[str] | str = None,
         dynamic: bool = True,
+        dict_mod: bool = False,
     ):
         """
         Update the job config of all Jobs in the Flow.
@@ -728,6 +729,9 @@ class Flow(MSONable):
         dynamic
             The updates will be propagated to Jobs/Flows dynamically generated at
             runtime.
+        dict_mod
+            Use the dict mod language to apply updates. See :obj:`.DictMods` for more
+            details.
 
         Examples
         --------
@@ -767,6 +771,7 @@ class Flow(MSONable):
                 function_filter=function_filter,
                 attributes=attributes,
                 dynamic=dynamic,
+                dict_mod=dict_mod,
             )
 
     def add_hosts_uuids(

jobflow/core/job.py

@@ -926,7 +926,7 @@ class Job(MSONable):
         function_filter: Callable = None,
         dict_mod: bool = False,
         dynamic: bool = True,
-        callback_filter: Callable[[jobflow.Flow | Job], bool] = lambda _: True,
+        callback_filter: Callable[[jobflow.Flow | Job], bool] | None = None,
     ):
         """
         Update the metadata of the job.
@@ -1006,7 +1006,7 @@ class Job(MSONable):
         ):
             return
 
-        if callback_filter(self) is False:
+        if callback_filter is not None and callback_filter(self) is False:
             return
 
         # if we get to here then we pass all the filters
@@ -1022,6 +1022,7 @@ class Job(MSONable):
         function_filter: Callable = None,
         attributes: list[str] | str = None,
         dynamic: bool = True,
+        dict_mod: bool = False,
     ):
         """
         Update the job config.
@@ -1045,6 +1046,9 @@ class Job(MSONable):
         dynamic
             The updates will be propagated to Jobs/Flows dynamically generated at
             runtime.
+        dict_mod
+            Use the dict mod language to apply updates. See :obj:`.DictMods` for more
+            details.
 
         Examples
         --------
@@ -1096,12 +1100,23 @@ class Job(MSONable):
         At variance, if `dynamic` is set to `False` the `manager_config` option will
         only be set for the `test_job` and not for the generated Jobs.
         """
+        from jobflow.utils.dict_mods import apply_mod
+
+        if dict_mod and attributes:
+            raise ValueError("dict_mod and attributes options cannot be used together")
+
+        if dict_mod and isinstance(config, JobConfig):
+            raise ValueError(
+                "If dict_mod is selected the update config cannot be a JobConfig object"
+            )
+
         if dynamic:
             dict_input = {
                 "config": config,
                 "name_filter": name_filter,
                 "function_filter": function_filter,
                 "attributes": attributes,
+                "dict_mod": dict_mod,
             }
             self.config_updates.append(dict_input)
 
@@ -1119,29 +1134,34 @@ class Job(MSONable):
             return
 
         # if we get to here then we pass all the filters
-        if isinstance(config, dict):
-            # convert dict specification to a JobConfig but set the attributes
-            if attributes is None:
-                attributes = list(config.keys())
-
-            attributes = [attributes] if isinstance(attributes, str) else attributes
-            if not set(attributes).issubset(set(config.keys())):
-                raise ValueError(
-                    "Specified attributes include a key that is not present in the "
-                    "config dictionary."
-                )
-            config = JobConfig(**config)
-
-        if attributes is None:
-            # overwrite the whole config
-            self.config = config
+        if dict_mod:
+            conf_dict = self.config.as_dict()
+            apply_mod(config, conf_dict)
+            self.config = JobConfig.from_dict(conf_dict)
         else:
-            # only update the specified attributes
-            attributes = [attributes] if isinstance(attributes, str) else attributes
-            for attr in attributes:
-                if not hasattr(self.config, attr):
-                    raise ValueError(f"Unknown JobConfig attribute: {attr}")
-                setattr(self.config, attr, getattr(config, attr))
+            if isinstance(config, dict):
+                # convert dict specification to a JobConfig but set the attributes
+                if attributes is None:
+                    attributes = list(config.keys())
+
+                attributes = [attributes] if isinstance(attributes, str) else attributes
+                if not set(attributes).issubset(set(config.keys())):
+                    raise ValueError(
+                        "Specified attributes include a key that is not present in the "
+                        "config dictionary."
+                    )
+                config = JobConfig(**config)
+
+            if attributes is None:
+                # overwrite the whole config
+                self.config = config
+            else:
+                # only update the specified attributes
+                attributes = [attributes] if isinstance(attributes, str) else attributes
+                for attr in attributes:
+                    if not hasattr(self.config, attr):
+                        raise ValueError(f"Unknown JobConfig attribute: {attr}")
+                    setattr(self.config, attr, getattr(config, attr))
 
     def as_dict(self) -> dict:
         """Serialize the job as a dictionary."""
@@ -1265,7 +1285,7 @@ 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/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/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/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-0.1.19.dist-info → jobflow-0.2.1.dist-info}/METADATA

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: jobflow
-Version: 0.1.19
+Version: 0.2.1
 Summary: jobflow is a library for writing computational workflows
 Author-email: Alex Ganose <a.ganose@imperial.ac.uk>
 License: modified BSD
@@ -17,56 +17,58 @@ 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
-Requires-Dist: maggma>=0.57.0
+Requires-Dist: PyYAML>=6.0.1
+Requires-Dist: maggma>=0.72.0
 Requires-Dist: monty>=2023.9.25
-Requires-Dist: networkx
+Requires-Dist: networkx>=3.2.1
 Requires-Dist: pydantic-settings>=2.0.3
-Requires-Dist: pydantic>=2.0.1
-Requires-Dist: pydash
+Requires-Dist: pydantic>=2.4
+Requires-Dist: pydash>=8.0.1
 Provides-Extra: ulid
 Requires-Dist: python-ulid; extra == "ulid"
 Provides-Extra: docs
-Requires-Dist: autodoc_pydantic==2.1.0; extra == "docs"
-Requires-Dist: furo==2024.8.6; extra == "docs"
-Requires-Dist: ipython==8.29.0; extra == "docs"
-Requires-Dist: myst_parser==4.0.0; extra == "docs"
-Requires-Dist: nbsphinx==0.9.5; extra == "docs"
+Requires-Dist: autodoc_pydantic==2.2.0; extra == "docs"
+Requires-Dist: furo==2025.9.25; 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==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==6.0.0; extra == "tests"
-Requires-Dist: pytest==8.3.3; extra == "tests"
+Requires-Dist: moto==5.1.16; extra == "tests"
+Requires-Dist: pytest-cov==7.0.0; extra == "tests"
+Requires-Dist: pytest==8.4.2; 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==6.0.2; extra == "strict"
-Requires-Dist: maggma==0.70.0; extra == "strict"
-Requires-Dist: matplotlib==3.9.2; extra == "strict"
-Requires-Dist: monty==2024.10.21; extra == "strict"
-Requires-Dist: moto==4.2.13; extra == "strict"
-Requires-Dist: networkx==3.2.1; extra == "strict"
-Requires-Dist: pydantic-settings==2.6.1; extra == "strict"
-Requires-Dist: pydantic==2.9.2; extra == "strict"
-Requires-Dist: pydash==8.0.4; extra == "strict"
-Requires-Dist: pydot==2.0.0; extra == "strict"
-Requires-Dist: python-ulid==3.0.0; extra == "strict"
-Requires-Dist: typing-extensions==4.12.2; extra == "strict"
+Requires-Dist: FireWorks==2.0.6; extra == "strict"
+Requires-Dist: PyYAML==6.0.3; extra == "strict"
+Requires-Dist: maggma==0.72.0; extra == "strict"
+Requires-Dist: matplotlib==3.10.7; extra == "strict"
+Requires-Dist: monty==2025.3.3; extra == "strict"
+Requires-Dist: moto==5.1.16; extra == "strict"
+Requires-Dist: networkx==3.4.2; extra == "strict"
+Requires-Dist: pydantic-settings==2.11.0; extra == "strict"
+Requires-Dist: pydantic==2.12.3; extra == "strict"
+Requires-Dist: pydash==8.0.5; extra == "strict"
+Requires-Dist: pydot==4.0.1; extra == "strict"
+Requires-Dist: python-ulid==3.1.0; extra == "strict"
+Requires-Dist: typing-extensions==4.15.0; extra == "strict"
+Dynamic: license-file
 
 <div align="center">
 

{jobflow-0.1.19.dist-info → jobflow-0.2.1.dist-info}/RECORD

@@ -3,10 +3,10 @@ jobflow/_version.py,sha256=Ym07PBD7sAmpqVpX8tuzWma3P_Hv6KXbDKXWkw8OwaI,205
 jobflow/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 jobflow/settings.py,sha256=yinHpix-DPwzcBhQCO8zDXFuv048rmBgpYMPa9wcs8c,6094
 jobflow/core/__init__.py,sha256=3sx5t1Gysejc4c_fPrhvCjPUg0p_384Zko8ms2c_NnY,98
-jobflow/core/flow.py,sha256=XuH0-n8DpSWLHyUdVU7KeewtDzjZw7AIqh9xwLQkqcc,30634
-jobflow/core/job.py,sha256=wAVmJrWO5sf7vze8696lMLz_A-bnPVgIp5TvhmDIGx0,48145
+jobflow/core/flow.py,sha256=AWseNK4P42CiiPykl4kud0e-SJYxDJoqM6I_n77w4_M,30854
+jobflow/core/job.py,sha256=ogKour02EF6uvSYZz4F4zaqiM6bUiaCwwtboF0WprPk,49002
 jobflow/core/maker.py,sha256=WhsYw2wDNVIyAEeRUoikOQMzXzHuXfFVwXrJpwGCD1E,11162
-jobflow/core/reference.py,sha256=hLuuxQcXwMCEQk-N3jpvxnWfxJZ4OFtxK4Fb-PXMJNk,17090
+jobflow/core/reference.py,sha256=2xqNwyo57wFPLMLPprXa5h8f_cOWcyCHmDsfVEl5pRk,17101
 jobflow/core/schemas.py,sha256=Oi5-PnZpI8S9jSY7Q4f8H7xUybbRZDXlgugeVewVsrA,968
 jobflow/core/state.py,sha256=IGJTtmpotDKEcgDEnsT5x20ZeyvQT68Mr3teTjkgYnM,709
 jobflow/core/store.py,sha256=PAtAhZTLU1b17OD66rqlo8_JP1p-IzH8c2WJwWd1Q2o,26997
@@ -17,12 +17,12 @@ 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/graph.py,sha256=kweAowEzv8ZGjJ9KZvJ-G5ueAqGPWbU0z7Xd4e-q8no,6596
 jobflow/utils/log.py,sha256=4-_1OUSQ8I4Q6CgQ4pxNBeveBdpXla7nibZNF7Vk3pw,1110
 jobflow/utils/uid.py,sha256=hNkpJ5AYhKd_sPWE_iGPcn6YD_AyizKX_swWksFr-_M,2537
-jobflow/utils/uuid.py,sha256=-cN3NpxiZuQMjl_0wq5h8ZjTYpf5o4-o2QQ5g9E7vQM,406
-jobflow-0.1.19.dist-info/LICENSE,sha256=jUEiENfZNQZh9RE9ixtUWgVkLRD85ScZ6iv1WREf19w,2418
-jobflow-0.1.19.dist-info/METADATA,sha256=HrT82LwLIk0FvQTJqg_ZNSyr8xHqe-PV1TL-RiVX_eM,9945
-jobflow-0.1.19.dist-info/WHEEL,sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U,91
-jobflow-0.1.19.dist-info/top_level.txt,sha256=IanNooU88OupQPDrWnT0rbL3E27P2wEy7Jsfx9_j8zc,8
-jobflow-0.1.19.dist-info/RECORD,,
+jobflow/utils/uuid.py,sha256=m0fInOs1yklpavf7jId85luDOHjZqfIIUzEtd89Bk_s,440
+jobflow-0.2.1.dist-info/licenses/LICENSE,sha256=jUEiENfZNQZh9RE9ixtUWgVkLRD85ScZ6iv1WREf19w,2418
+jobflow-0.2.1.dist-info/METADATA,sha256=4B39RQEMtBLt7_K2rghR9VfZ4GfxgFHIig9iixQRdaw,10039
+jobflow-0.2.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+jobflow-0.2.1.dist-info/top_level.txt,sha256=IanNooU88OupQPDrWnT0rbL3E27P2wEy7Jsfx9_j8zc,8
+jobflow-0.2.1.dist-info/RECORD,,

{jobflow-0.1.19.dist-info → jobflow-0.2.1.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (75.6.0)
+Generator: setuptools (80.9.0)
 Root-Is-Purelib: true
 Tag: py3-none-any