jobflow 0.1.10__tar.gz → 0.1.11__tar.gz

{jobflow-0.1.10/src/jobflow.egg-info → jobflow-0.1.11}/PKG-INFO

@@ -1,11 +1,11 @@
 Metadata-Version: 2.1
 Name: jobflow
-Version: 0.1.10
+Version: 0.1.11
 Summary: jobflow is a library for writing computational workflows
 Author-email: Alex Ganose <alexganose@gmail.com>
 License: modified BSD
 Project-URL: homepage, https://materialsproject.github.io/jobflow/
-Project-URL: repository, https://github.com/hackingmaterials/jobflow
+Project-URL: repository, https://github.com/materialsproject/jobflow
 Project-URL: documentation, https://materialsproject.github.io/jobflow/
 Project-URL: changelog, https://github.com/materialsproject/jobflow/blob/main/CHANGELOG.md
 Keywords: high-throughput,workflow
@@ -109,7 +109,7 @@ the jobs is determined automatically and can be visualised using the flow graph.
 
 ## Installation
 
-The jobflow is a Python 3.7+ library and can be installed using pip.
+The jobflow is a Python 3.8+ library and can be installed using pip.
 
 ```bash
 pip install jobflow

{jobflow-0.1.10 → jobflow-0.1.11}/README.md

@@ -76,7 +76,7 @@ the jobs is determined automatically and can be visualised using the flow graph.
 
 ## Installation
 
-The jobflow is a Python 3.7+ library and can be installed using pip.
+The jobflow is a Python 3.8+ library and can be installed using pip.
 
 ```bash
 pip install jobflow

{jobflow-0.1.10 → jobflow-0.1.11}/pyproject.toml

@@ -40,7 +40,7 @@ docs = [
     "furo==2022.12.7",
     "myst_parser==1.0.0",
     "ipython==8.11.0",
-    "nbsphinx==0.8.12",
+    "nbsphinx==0.9.0",
     "autodoc_pydantic==1.8.0",
 ]
 dev = ["pre-commit>=2.12.1"]
@@ -52,7 +52,7 @@ strict = [
     "networkx==3.0",
     "pydash==6.0.2",
     "maggma==0.50.3",
-    "pydantic==1.10.5",
+    "pydantic==1.10.6",
     "PyYAML==6.0",
     "FireWorks==2.0.3",
     "matplotlib==3.7.1",
@@ -62,7 +62,7 @@ strict = [
 
 [project.urls]
 homepage = "https://materialsproject.github.io/jobflow/"
-repository = "https://github.com/hackingmaterials/jobflow"
+repository = "https://github.com/materialsproject/jobflow"
 documentation = "https://materialsproject.github.io/jobflow/"
 changelog = "https://github.com/materialsproject/jobflow/blob/main/CHANGELOG.md"
 
@@ -132,25 +132,6 @@ select = [
     "W",   # pycodestyle
     "YTT", # flake8-2020
 ]
-ignore = [
-    "B019",    # functools.lru_cache on methods can lead to memory leaks
-    "B023",    # Function definition does not bind loop variable
-    "B904",    # Within an except clause, raise exceptions with ...
-    "D100",    # Missing docstring in public module
-    "D104",    # Missing docstring in public package
-    "D105",    # Missing docstring in magic method
-    "D107",    # Missing docstring in __init__
-    "D200",    # One-line docstring should fit on one line with quotes
-    "D205",    # 1 blank line required between summary line and description
-    "D212",    # Multi-line docstring summary should start at the first line
-    "D415",    # First line should end with a period, question mark, or exclamation point
-    "E741",    # tmp: we should fix all ambiguous variable names
-    "PLR2004", # Magic number
-    "PLW0120", # awaiting bug fix https://github.com/charliermarsh/ruff/issues/3019
-    "C408",    # Unnecessary dict call - rewrite as a literal
-    "D416",    # Section name should end with a colon
-    "SIM105",  # Use contextlib.suppress(socket.gaierror, socket.herror) instead of try-except-pass
-]
 pydocstyle.convention = "numpy"
 isort.known-first-party = ["jobflow"]
 

{jobflow-0.1.10 → jobflow-0.1.11}/src/jobflow/core/flow.py

@@ -140,7 +140,7 @@ class Flow(MSONable):
         self.uuid = uuid
         self.hosts = hosts or []
 
-        self._jobs: tuple[Flow | Job, ...] = tuple()
+        self._jobs: tuple[Flow | Job, ...] = ()
         self.add_jobs(jobs)
         self.output = output
 

{jobflow-0.1.10 → jobflow-0.1.11}/src/jobflow/core/job.py

@@ -324,7 +324,7 @@ class Job(MSONable):
 
         from jobflow.utils.find import contains_flow_or_job
 
-        function_args = tuple() if function_args is None else function_args
+        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
         metadata = {} if metadata is None else metadata
@@ -585,12 +585,14 @@ class Job(MSONable):
                 pass_manager_config(response.replace, passed_config)
 
         try:
-            output = jsanitize(response.output, strict=True, enum_values=True)
-        except AttributeError:
+            output = jsanitize(
+                response.output, strict=True, enum_values=True, allow_bson=True
+            )
+        except AttributeError as err:
             raise RuntimeError(
                 "Job output contained an object that is not MSONable and therefore "
                 "could not be serialized."
-            )
+            ) from err
 
         save = {k: "output" if v is True else v for k, v in self._kwargs.items()}
         data = {
@@ -905,12 +907,12 @@ class Job(MSONable):
         from jobflow.utils.dict_mods import apply_mod
 
         if dynamic:
-            dict_input = dict(
-                update=update,
-                name_filter=name_filter,
-                function_filter=function_filter,
-                dict_mod=dict_mod,
-            )
+            dict_input = {
+                "update": update,
+                "name_filter": name_filter,
+                "function_filter": function_filter,
+                "dict_mod": dict_mod,
+            }
             self.metadata_updates.append(dict_input)
 
         # unwrap the functions in case the job is a decorated one
@@ -1014,12 +1016,12 @@ class Job(MSONable):
         only be set for the `test_job` and not for the generated Jobs.
         """
         if dynamic:
-            dict_input = dict(
-                config=config,
-                name_filter=name_filter,
-                function_filter=function_filter,
-                attributes=attributes,
-            )
+            dict_input = {
+                "config": config,
+                "name_filter": name_filter,
+                "function_filter": function_filter,
+                "attributes": attributes,
+            }
             self.config_updates.append(dict_input)
 
         # unwrap the functions in case the job is a decorated one

{jobflow-0.1.10 → jobflow-0.1.11}/src/jobflow/core/reference.py

@@ -2,6 +2,7 @@
 
 from __future__ import annotations
 
+import contextlib
 import typing
 from typing import Any, Sequence
 
@@ -93,7 +94,7 @@ class OutputReference(MSONable):
     def __init__(
         self,
         uuid: str,
-        attributes: tuple[tuple[str, Any], ...] = tuple(),
+        attributes: tuple[tuple[str, Any], ...] = (),
         output_schema: type[BaseModel] | None = None,
     ):
         super().__init__()
@@ -157,12 +158,10 @@ class OutputReference(MSONable):
         index = None if result is None else result["index"]
 
         if index is not None and index not in cache[self.uuid]:
-            try:
+            with contextlib.suppress(ValueError):
                 cache[self.uuid][index] = store.get_output(
                     self.uuid, which="last", load=True, on_missing=on_missing
                 )
-            except ValueError:
-                pass
 
         if on_missing == OnMissing.ERROR and index not in cache[self.uuid]:
             istr = f" ({index})" if index is not None else ""
@@ -390,9 +389,9 @@ def find_and_get_references(arg: Any) -> tuple[OutputReference, ...]:
 
     elif isinstance(arg, (float, int, str, bool)):
         # argument is a primitive, we won't find a reference here
-        return tuple()
+        return ()
 
-    arg = jsanitize(arg, strict=True, enum_values=True)
+    arg = jsanitize(arg, strict=True, enum_values=True, allow_bson=True)
 
     # recursively find any reference classes
     locations = find_key_value(arg, "@class", "OutputReference")
@@ -449,7 +448,7 @@ def find_and_resolve_references(
         return arg
 
     # serialize the argument to a dictionary
-    encoded_arg = jsanitize(arg, strict=True, enum_values=True)
+    encoded_arg = jsanitize(arg, strict=True, enum_values=True, allow_bson=True)
 
     # recursively find any reference classes
     locations = find_key_value(encoded_arg, "@class", "OutputReference")

{jobflow-0.1.10 → jobflow-0.1.11}/src/jobflow/core/store.py

@@ -210,7 +210,7 @@ class JobStore(Store):
                         properties=["blob_uuid", "data"],
                     )
                     object_map = {o["blob_uuid"]: o["data"] for o in objects}
-                    inserts = {tuple(l): object_map[o] for o, l in object_info.items()}
+                    inserts = {tuple(v): object_map[k] for k, v in object_info.items()}
                     to_insert.update(inserts)
 
                 update_in_dictionary(doc, to_insert)
@@ -737,7 +737,7 @@ def _filter_blobs(
     from collections import defaultdict
 
     def _group_blobs(infos, locs):
-        grouped = defaultdict(lambda: (list(), list()))
+        grouped = defaultdict(lambda: ([], []))
         for info, loc in zip(infos, locs):
             grouped[info["store"]][0].append(info)
             grouped[info["store"]][1].append(loc)

{jobflow-0.1.10 → jobflow-0.1.11/src/jobflow.egg-info}/PKG-INFO

@@ -1,11 +1,11 @@
 Metadata-Version: 2.1
 Name: jobflow
-Version: 0.1.10
+Version: 0.1.11
 Summary: jobflow is a library for writing computational workflows
 Author-email: Alex Ganose <alexganose@gmail.com>
 License: modified BSD
 Project-URL: homepage, https://materialsproject.github.io/jobflow/
-Project-URL: repository, https://github.com/hackingmaterials/jobflow
+Project-URL: repository, https://github.com/materialsproject/jobflow
 Project-URL: documentation, https://materialsproject.github.io/jobflow/
 Project-URL: changelog, https://github.com/materialsproject/jobflow/blob/main/CHANGELOG.md
 Keywords: high-throughput,workflow
@@ -109,7 +109,7 @@ the jobs is determined automatically and can be visualised using the flow graph.
 
 ## Installation
 
-The jobflow is a Python 3.7+ library and can be installed using pip.
+The jobflow is a Python 3.8+ library and can be installed using pip.
 
 ```bash
 pip install jobflow

{jobflow-0.1.10 → jobflow-0.1.11}/src/jobflow.egg-info/requires.txt

@@ -13,7 +13,7 @@ sphinx==6.1.3
 furo==2022.12.7
 myst_parser==1.0.0
 ipython==8.11.0
-nbsphinx==0.8.12
+nbsphinx==0.9.0
 autodoc_pydantic==1.8.0
 
 [fireworks]
@@ -24,7 +24,7 @@ monty==2022.9.9
 networkx==3.0
 pydash==6.0.2
 maggma==0.50.3
-pydantic==1.10.5
+pydantic==1.10.6
 PyYAML==6.0
 FireWorks==2.0.3
 matplotlib==3.7.1