CHANGELOG.md

Change log

v0.1.13

Bug Fixes:

• Delete Flow.__deepcopy__ by @janosh in materialsproject#399

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.12...v0.1.13

v0.1.12

New features:

• Add to_mermaid function to convert flow to mermaid syntax by @utf in materialsproject#311
• Allow external references by @gpetretto in materialsproject#392
• Add to_mermaid for all in graph utils by @JaGeo in materialsproject#351
• Propagate tags from fw_spec to metadata by @sivonxay in materialsproject#345
• Allow bson objects as job inputs, e.g. datetime.datetimes by @mcgalcode in materialsproject#375
• Also allow_bson in job serialization by @mcgalcode in materialsproject#376
• Flow + Job magic methods by @janosh in materialsproject#369

Bug fixes:

• Fix ValueError: mutable default for field add_maker is not allowed: use default_factory by @janosh in materialsproject#387
• Fixed nested data storage bug by @jmmshn in materialsproject#293
• Test imports need to be in function by @jmmshn in materialsproject#310
• Fix TypeError when passing name to flow_to_workflow( by @janosh in materialsproject#396
• Fix mermaid with one job (in a flow) by @JaGeo in materialsproject#350
• Fixed JobStore.from_dict_spec so that the original dict_spec is not modified by @davidwaroquiers in materialsproject#331

Enhancements:

• Fix typo in data store docs by @xperrylinn in materialsproject#316
• Fix typo in fireworks docs by @arosen93 in materialsproject#343
• Fix typo in docs by @arosen93 in materialsproject#359
• Fix broken link to FireWorks tutorial by @janosh in materialsproject#319
• Add documentation: Flows, FireWorks, Dynamic Flows, Makers by @arosen93 in materialsproject#338
• Update forum link by @mkhorton in materialsproject#373
• Add copy button to code blocks in docs by @arosen93 in materialsproject#344

v0.1.11

• Enable serialisation of bson.

v0.1.10

• Move project configuration to pyproject.toml.
• Add tutorial on generalized makers (@jmmshn, #268)

v0.1.9

New features

• Delayed updates to config and metadata for dynamic flows. See docstring of Job.update_metadata for more details (@gpetretto, #198)
• Additional stores are now generated on the fly as memory stores if they are not specified in jobflow settings (@davidwaroquiers, #183)

Bug fixes:

• Optimised calls to update_kwargs (@jmmshn, #177)
• "job_uuid" and "job_index" are now indexed fields in additional stores (@jmmshn, #165)
• Fix additional store storing None (@mjwen, #160)

Enhancements:

• Docs refactored.
• Added code of conduct.

v0.1.8

New features:

• New update_metadata function for updating the metadata of jobs and flows.
• New update_config function for updating the config (included manager_config) of jobs and flows.
• New DIRECTORY_FORMAT option in JobflowSettings for controlling the date time format used to create new directories.
• New functions for adding and removing jobs from a flow. The Job.jobs list is no longer mutable (@gpetretto).
• New Job.hosts attribute that stores a list of all host Flows. This captures the nested nature of flows with the outer flow always first in the list (@gpetretto).

Bug fixes:

• OutputReferences are no longer iterable.
• Docstring clarifications (@utf, @mjwen).

v0.1.7

New features:

• Validate subschemas of nested models (@gpetretto, #118).
• downstream_manager_config for controlling config of dynamic jobs (@arosen93, #121).
• S3Store yaml parsing (@jmmshn, #124).

Bug fixes:

• Fix home path for loading settings (@gpetretto, #119).
• Docs updates (@arosen93, #111).

v0.1.6

Bug fixes:

• Docs fixes (@arosen).
• Compatibility with maggma>=0.38.1 (#68)
• Fixed missing PyYAML requirement (#67)

v0.1.5

Bug fixes:

• Remove JobConfig.pass_metadata option and instead pass metadata automatically.
• Fix serialization compatibility with the FireWorks workflow manager.

v0.1.4

New features:

• Add append_name option to Job and Flow that allow easy modification of all job names in a flow.
• Add JobConfig.pass_metadata (defaults to True) that can be used to pass job metadata on to dynamically added jobs.

Bug fixes:

• Fireworks manager now adds metadata to FireWork spec. Fixes #21.

v0.1.3

Jobflow now uses pydantic to handle settings. Currently, there is only a single setting JOB_STORE which controls the default store used by run_locally and the fireworks manager. You can update the default store by writing a ~/.jobflow.yaml settings file. See the API documentation for more details.

v0.1.2

New features:

• ensure_success option added to run_locally.
• Better graph visualisation.
• Updating the name of a job from a maker now propagates the name change to the maker.
• Job.update_maker_kwargs with nested=True now applies the updates to makers in the kwargs or args of the job.

v0.1.1

Docs updates.

v0.1.0

Major changes:

• Schema class removed. Any pydantic model can now be an output schema.

Enhancements:

• JobStore.get_output now resolves references in the output of other jobs.
• JobStore.get_output: which now supports specifying a specific job index.
• Better support for circular and missing references in JobStore.get_output and OutputReference.resolve.
• Update dependencies to use latest jsanitize features.

Bug fixes:

• Fixed issue with references in flow of flows (@davidwaroquiers, #18).
• Makes now allows non-default parameters (fixes: #13).
• Fix reference cache with multiple indexes.

v0.0.2

Testing automated releases.

v0.0.1

Initial release containing:

• Job, Flow, Maker, and JobStore API.
• Tools for running Flows locally.
• Fireworks integration.