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Releases: materialsproject/jobflow

v0.1.18

22 Jul 08:56
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Bug Fixes 🐛

Enhancements 🛠

  • Add job_dir attribute to Response class to record where a job ran by @janosh in #570
  • Add type hint for @job and fix for run_locally by @FabiPi3 in #578
  • Add dynamic option to append_name by @JaGeo in #644

Documentation 📖

House-Keeping 🧹

  • Migrate from pip to uv for CI dependency install by @janosh in #574
  • Bump ruff and fix errors by @janosh in #593

New Contributors

Full Changelog: v0.1.17...v0.1.18

v0.1.17

25 Jan 11:02
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New Features 🎉

Enhancements 🛠

Full Changelog: v0.1.16...v0.1.17

v0.1.16

07 Jan 13:06
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Bug Fixes 🐛

Enhancements 🛠

  • Optionally avoid deserialization when resolving references by @gpetretto in #512

Documentation 📖

House-Keeping 🧹

Other Changes

  • Auto-update pre-commit hooks by @github-actions in #511

New Contributors

Full Changelog: v0.1.15...v0.1.16

v0.1.15

05 Dec 10:00
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What's Changed

Bug Fixes 🐛

Enhancements 🛠

  • Formalizing the JobStore document format as a pydantic model by @hrushikesh-s in #424
  • Simplify code by using Flow methods __len__ and __getitem__ by @janosh in #467
  • run_locally() add root_dir: str | Path | None keyword by @janosh in #486
  • Allow SSHTunnel in job stores by @mjwen in #477

Documentation 📖

House-Keeping 🧹

  • Remove __all__ from all modules by @janosh in #442
  • Bump minimum Python version to 3.9 by @janosh in #455
  • Replace deprecated pkg_resources with importlib.metadata.version by @janosh in #460
  • Match atomate2 ruff config by @janosh in #464
  • Test error messages by @janosh in #465

New Contributors

Full Changelog: v0.1.14...v0.1.15

v0.1.14

28 Sep 09:32
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Bug Fixes 🐛

  • Add warning when jobflow.yaml is blank or badly formatted by @mcgalcode in #415
  • Fix issue with data store by @JaGeo in #409
  • Make ensure_success apply to replace/detour/addition jobs by @mcgalcode in #426

Enhancements 🛠

Documentation 📖

Full Changelog: v0.1.13...v0.1.14

v0.1.13

16 Aug 09:18
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Bug Fixes:

Full Changelog: v0.1.12...v0.1.13

v0.1.12

14 Aug 12:41
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New Features 🎉

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

Bug Fixes 🐛

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

Enhancements 🛠

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

New Contributors

Full Changelog: v0.1.11...v0.1.12

v0.1.11

20 Mar 16:32
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  • Enable serialisation of bson.

v0.1.10

08 Mar 18:24
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  • Move project configuration to pyproject.toml.
  • Add tutorial on generalized makers (@jmmshn, #268)

v0.1.9

03 Oct 14:54
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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 (@utf).
  • Added code of conduct (@utf).