jobflow 0.2.0__tar.gz → 0.2.1__tar.gz

{jobflow-0.2.0/src/jobflow.egg-info → jobflow-0.2.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: jobflow
-Version: 0.2.0
+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
@@ -25,18 +25,18 @@ Classifier: Topic :: Scientific/Engineering
 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==2.2.0; extra == "docs"
-Requires-Dist: furo==2024.8.6; 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"
@@ -46,28 +46,28 @@ 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==5.1.5; extra == "tests"
-Requires-Dist: pytest-cov==6.1.1; extra == "tests"
-Requires-Dist: pytest==8.4.0; 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==2.0.4; 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: 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==5.1.5; extra == "strict"
+Requires-Dist: moto==5.1.16; 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: 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==4.0.0; extra == "strict"
-Requires-Dist: python-ulid==3.0.0; extra == "strict"
-Requires-Dist: typing-extensions==4.13.2; 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-0.2.0 → jobflow-0.2.1}/pyproject.toml

@@ -27,20 +27,20 @@ classifiers = [
 ]
 requires-python = ">=3.10"
 dependencies = [
-    "PyYAML",
-    "maggma>=0.57.0",
+    "PyYAML>=6.0.1",
+    "maggma>=0.72.0",
     "monty>=2023.9.25",
-    "networkx",
+    "networkx>=3.2.1",
     "pydantic-settings>=2.0.3",
-    "pydantic>=2.0.1",
-    "pydash",
+    "pydantic>=2.4",
+    "pydash>=8.0.1",
 ]
 
 [project.optional-dependencies]
 ulid = ["python-ulid"]
 docs = [
     "autodoc_pydantic==2.2.0",
-    "furo==2024.8.6",
+    "furo==2025.9.25",
     "ipython==9.3.0",
     "myst_parser==4.0.1",
     "nbsphinx==0.9.7",
@@ -48,23 +48,23 @@ docs = [
     "sphinx==8.1.3",
 ]
 dev = ["pre-commit>=2.12.1", "typing_extensions; python_version < '3.11'"]
-tests = ["moto==5.1.5", "pytest-cov==6.1.1", "pytest==8.4.0"]
+tests = ["moto==5.1.16", "pytest-cov==7.0.0", "pytest==8.4.2"]
 vis = ["matplotlib", "pydot"]
 fireworks = ["FireWorks"]
 strict = [
-    "FireWorks==2.0.4",
-    "PyYAML==6.0.2",
-    "maggma==0.71.5",
-    "matplotlib==3.10.3",
+    "FireWorks==2.0.6",
+    "PyYAML==6.0.3",
+    "maggma==0.72.0",
+    "matplotlib==3.10.7",
     "monty==2025.3.3",
-    "moto==5.1.5",
+    "moto==5.1.16",
     "networkx==3.4.2",
-    "pydantic-settings==2.9.1",
-    "pydantic==2.11.5",
+    "pydantic-settings==2.11.0",
+    "pydantic==2.12.3",
     "pydash==8.0.5",
-    "pydot==4.0.0",
-    "python-ulid==3.0.0",
-    "typing-extensions==4.13.2",
+    "pydot==4.0.1",
+    "python-ulid==3.1.0",
+    "typing-extensions==4.15.0",
 ]
 
 [project.urls]
@@ -163,6 +163,7 @@ ignore = [
     "FBT001",
     "FBT002",
     "ISC001",
+    "PLC0415", # import should be at the top-level of a file
     "PLR0911", # too-many-return-statements
     "PLR0912", # too-many-branches
     "PLR0913", # too-many-arguments
@@ -180,5 +181,6 @@ isort.known-first-party = ["jobflow"]
 # D: pydocstyle
 # PLR2004: magic-value-comparison
 # PT004: pytest-missing-fixture-name-underscore
+
 "**/tests/*" = ["ANN", "ARG001", "D", "PLR2004", "PT004", "S101"]
 "docs/tutorials/*" = ["D", "PLR2004"]

{jobflow-0.2.0 → jobflow-0.2.1}/src/jobflow/core/flow.py

@@ -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-0.2.0 → jobflow-0.2.1}/src/jobflow/core/job.py

@@ -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."""

{jobflow-0.2.0 → jobflow-0.2.1/src/jobflow.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: jobflow
-Version: 0.2.0
+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
@@ -25,18 +25,18 @@ Classifier: Topic :: Scientific/Engineering
 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==2.2.0; extra == "docs"
-Requires-Dist: furo==2024.8.6; 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"
@@ -46,28 +46,28 @@ 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==5.1.5; extra == "tests"
-Requires-Dist: pytest-cov==6.1.1; extra == "tests"
-Requires-Dist: pytest==8.4.0; 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==2.0.4; 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: 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==5.1.5; extra == "strict"
+Requires-Dist: moto==5.1.16; 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: 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==4.0.0; extra == "strict"
-Requires-Dist: python-ulid==3.0.0; extra == "strict"
-Requires-Dist: typing-extensions==4.13.2; 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-0.2.0 → jobflow-0.2.1}/src/jobflow.egg-info/requires.txt

@@ -1,10 +1,10 @@
-PyYAML
-maggma>=0.57.0
+PyYAML>=6.0.1
+maggma>=0.72.0
 monty>=2023.9.25
-networkx
+networkx>=3.2.1
 pydantic-settings>=2.0.3
-pydantic>=2.0.1
-pydash
+pydantic>=2.4
+pydash>=8.0.1
 
 [dev]
 pre-commit>=2.12.1
@@ -14,7 +14,7 @@ typing_extensions
 
 [docs]
 autodoc_pydantic==2.2.0
-furo==2024.8.6
+furo==2025.9.25
 ipython==9.3.0
 myst_parser==4.0.1
 nbsphinx==0.9.7
@@ -25,24 +25,24 @@ sphinx==8.1.3
 FireWorks
 
 [strict]
-FireWorks==2.0.4
-PyYAML==6.0.2
-maggma==0.71.5
-matplotlib==3.10.3
+FireWorks==2.0.6
+PyYAML==6.0.3
+maggma==0.72.0
+matplotlib==3.10.7
 monty==2025.3.3
-moto==5.1.5
+moto==5.1.16
 networkx==3.4.2
-pydantic-settings==2.9.1
-pydantic==2.11.5
+pydantic-settings==2.11.0
+pydantic==2.12.3
 pydash==8.0.5
-pydot==4.0.0
-python-ulid==3.0.0
-typing-extensions==4.13.2
+pydot==4.0.1
+python-ulid==3.1.0
+typing-extensions==4.15.0
 
 [tests]
-moto==5.1.5
-pytest-cov==6.1.1
-pytest==8.4.0
+moto==5.1.16
+pytest-cov==7.0.0
+pytest==8.4.2
 
 [ulid]
 python-ulid

{jobflow-0.2.0 → jobflow-0.2.1}/tests/test_settings.py

@@ -79,7 +79,7 @@ def test_settings_object(clean_dir, test_data):
     with open(config_file_path, "w") as f:
         pass
 
-    with pytest.warns(UserWarning):
+    with pytest.warns(UserWarning, match="An empty JobFlow config file was located at"):
         settings = JobflowSettings()
 
     # An error should be thrown if the file exists and