Releases: materialsproject/jobflow
Releases · materialsproject/jobflow
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_dir
attribute toResponse
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 📖
- Fix
JobStore.from_file
docstring 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
pip
touv
for CI dependency install by @janosh in #574 - Bump
ruff
and 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
MemoryStore
by @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
Flow
methods__len__
and__getitem__
by @janosh in #467 run_locally()
addroot_dir: str | Path | None
keyword 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.bib
by @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.bib
by @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_resources
withimportlib.metadata.version
by @janosh in #460 - Match
atomate2
ruff
config 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
v0.1.13
v0.1.12
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: usedefault_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 toflow_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 originaldict_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
- @xperrylinn made their first contribution in #316
- @JaGeo made their first contribution in #350
- @sivonxay made their first contribution in #345
- @mcgalcode made their first contribution in #375
Full Changelog: v0.1.11...v0.1.12
v0.1.11
- Enable serialisation of bson.
v0.1.10
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: