Releases: materialsproject/jobflow
Releases · materialsproject/jobflow
v0.3.0
This version includes a number of fixes aiming for improved support with Quacc.
New Features 🎉
- A flow decorator by @vineetbansal in #815
- getitem for Job delegates to its output by @vineetbansal in #823
Enhancements 🛠
- Allow to give a save path directly by @FabiPi3 in #821
- A return type of job/iterable of jobs from a Job is interpreted as a replace by @vineetbansal in #833
- Validate properties attribute in output_schema by @gpetretto in #839
Documentation 📖
- Tutorial for Pydantic validation by @tomdemeyere in #812
Other Changes
- Bump pydantic from 2.12.3 to 2.12.4 by @dependabot[bot] in #818
- Bump pytest from 8.4.2 to 9.0.0 by @dependabot[bot] in #819
- Bump pydantic-settings from 2.11.0 to 2.12.0 by @dependabot[bot] in #820
- Bump pytest from 9.0.0 to 9.0.1 by @dependabot[bot] in #822
- Bump moto from 5.1.16 to 5.1.17 by @dependabot[bot] in #824
- Bump nbsphinx from 0.9.7 to 0.9.8 by @dependabot[bot] in #825
- Bump pydantic from 2.12.4 to 2.12.5 by @dependabot[bot] in #827
- Bump moto from 5.1.17 to 5.1.18 by @dependabot[bot] in #826
- Bump pytest from 9.0.1 to 9.0.2 by @dependabot[bot] in #829
- Bump fireworks from 2.0.6 to 2.0.8 by @dependabot[bot] in #828
- Bump matplotlib from 3.10.7 to 3.10.8 by @dependabot[bot] in #830
- Bump furo from 2025.9.25 to 2025.12.19 by @dependabot[bot] in #831
- Bump moto from 5.1.18 to 5.1.19 by @dependabot[bot] in #832
- Bump ipython from 9.3.0 to 9.9.0 by @dependabot[bot] in #836
- Bump moto from 5.1.19 to 5.1.20 by @dependabot[bot] in #840
- Bump pydash from 8.0.5 to 8.0.6 by @dependabot[bot] in #841
New Contributors
- @vineetbansal made their first contribution in #815
- @tomdemeyere made their first contribution in #812
Full Changelog: v0.2.1...v0.3.0
v0.2.1
Enhancements 🛠
- Jobconfig by @gpetretto in #817
House-Keeping 🧹
- Increase CI sensitivity by testing both lowest-direct and highest dependency resolution strategy by @janosh in #640
Full Changelog: v0.2.0...v0.2.1
v0.2.0
Dropped support for Python 3.9.
Bug Fixes 🐛
- Change default
callback_filterinupdate_metadataby @esoteric-ephemera in #721
Documentation 📖
House-Keeping 🧹
New Contributors
- @esoteric-ephemera made their first contribution in #721
Full Changelog: v0.1.19...v0.2.0
v0.1.19
Bug Fixes 🐛
Enhancements 🛠
JobflowSettingsaddLOG_FORMAT, also directly passable torun_locallyby @janosh in #706- Add
Flow.metadataattribute andFlow.update_metadatamethod by @janosh in #679
Documentation 📖
- Fix docstring in Job. by @davidwaroquiers in #673
House-Keeping 🧹
Full Changelog: v0.1.18...v0.1.19
v0.1.18
Bug Fixes 🐛
- FIX: Properly jsanitize fireworks Task by @gpetretto in #544
- fix @job annotation (again) by @FabiPi3 in #579
Enhancements 🛠
- Add
job_dirattribute toResponseclass 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 📖
- Fix
JobStore.from_filedocstring by @Andrew-S-Rosen in #543 - Added logo by @davidwaroquiers in #569
- fix firework command bug in doc by @chiang-yuan in #589
- Add JFR to readme. by @utf in #595
House-Keeping 🧹
- Migrate from
piptouvfor CI dependency install by @janosh in #574 - Bump
ruffand fix errors by @janosh in #593
New Contributors
- @FabiPi3 made their first contribution in #578
- @chiang-yuan made their first contribution in #589
Full Changelog: v0.1.17...v0.1.18
v0.1.17
New Features 🎉
Enhancements 🛠
- Optional Flag to help Debugging by @jmmshn in #527
- Add JOSS paper to README and docs by @Andrew-S-Rosen in #522
- Remove debug print statements in tests + bump GH action versions by @janosh in #523
Full Changelog: v0.1.16...v0.1.17
v0.1.16
Bug Fixes 🐛
- Explicit warning stacklevels by @janosh in #503
- Fix handling of function from standard library by @gpetretto in #516
Enhancements 🛠
- Optionally avoid deserialization when resolving references by @gpetretto in #512
Documentation 📖
- Add documentation for how to deal with stores beyond
MemoryStoreby @Andrew-S-Rosen in #506 - Fix tutorial bug by @mcgalcode in #505
- Fix tutorial link formatting in docs by @ml-evs in #504
- Add reference for jobflow-remote by @ml-evs in #513
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
What's Changed
Bug Fixes 🐛
- Fix JobStoreDocument validator by @utf in #478
- fix Flow deserialization for hosts by @gpetretto in #499
Enhancements 🛠
- Formalizing the JobStore document format as a pydantic model by @hrushikesh-s in #424
- Simplify code by using
Flowmethods__len__and__getitem__by @janosh in #467 run_locally()addroot_dir: str | Path | Nonekeyword by @janosh in #486- Allow SSHTunnel in job stores by @mjwen in #477
Documentation 📖
- JOSS paper by @utf in #446
- JOSS Paper: Add missing DOIs by @Andrew-S-Rosen in #452
- JOSS Paper: Reduce line-spacing in code blocks by @Andrew-S-Rosen in #454
- JOSS Paper update: Add missing year to
refs.bibby @Andrew-S-Rosen in #458 - JOSS Paper: Remove stray tick mark in "[@montydb]`" by @Andrew-S-Rosen in #459
- JOSS Paper: Add another missing year to
refs.bibby @Andrew-S-Rosen in #461 - Update refs.bib by @xuanxu in #462
- JOSS: Add missing
,to paper by @Andrew-S-Rosen in #479 - JOSS: Add more complete Zenodo reference info by @Andrew-S-Rosen in #481
- JOSS: Fix references to include all coauthors and remove "others" by @Andrew-S-Rosen in #480
- Add fibonacci example to tutorial by @JaGeo in #494
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_resourceswithimportlib.metadata.versionby @janosh in #460 - Match
atomate2ruffconfig by @janosh in #464 - Test error messages by @janosh in #465
New Contributors
- @hrushikesh-s made their first contribution in #424
- @xuanxu made their first contribution in #462
Full Changelog: v0.1.14...v0.1.15
v0.1.14
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 🛠
- Add tests for Python 3.11 by @Andrew-S-Rosen in #413
- Add support for Pydantic 2 by @Andrew-S-Rosen in #440
Documentation 📖
- Link to @JaGeo's tutorials and fix a broken link by @Andrew-S-Rosen in #412
- Update @arosen93 to @Andrew-S-Rosen by @Andrew-S-Rosen in #427
Full Changelog: v0.1.13...v0.1.14