Releases | Open Source Science

Bug Fixes 🐛

Change default callback_filter in update_metadata by @esoteric-ephemera in https://github.com/materialsproject/jobflow/pull/721

Documentation 📖

Added tutorial and example for handling missing references by @jmmshn in https://github.com/materialsproject/jobflow/pull/716

House-Keeping 🧹

schema -> model_json_schema by @jmmshn in https://github.com/materialsproject/jobflow/pull/743
Update linting and dependencies by @utf in https://github.com/materialsproject/jobflow/pull/774

New Contributors

@esoteric-ephemera made their first contribution in https://github.com/materialsproject/jobflow/pull/721

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.19...v0.2.0

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] 7 months ago

Bug Fixes 🐛

fix @job annotation again (again) by @FabiPi3 in https://github.com/materialsproject/jobflow/pull/654

Enhancements 🛠

JobflowSettings add LOG_FORMAT, also directly passable to run_locally by @janosh in https://github.com/materialsproject/jobflow/pull/706
Add Flow.metadata attribute and Flow.update_metadata method by @janosh in https://github.com/materialsproject/jobflow/pull/679

Documentation 📖

Fix docstring in Job. by @davidwaroquiers in https://github.com/materialsproject/jobflow/pull/673

House-Keeping 🧹

Update commit hooks and fix new ruff and mypy issues by @janosh in https://github.com/materialsproject/jobflow/pull/685

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.18...v0.1.19

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] about 1 year ago

Bug Fixes 🐛

FIX: Properly jsanitize fireworks Task by @gpetretto in https://github.com/materialsproject/jobflow/pull/544
fix @job annotation (again) by @FabiPi3 in https://github.com/materialsproject/jobflow/pull/579

Enhancements 🛠

Add job_dir attribute to Response class to record where a job ran by @janosh in https://github.com/materialsproject/jobflow/pull/570
Add type hint for @job and fix for run_locally by @FabiPi3 in https://github.com/materialsproject/jobflow/pull/578
Add dynamic option to append_name by @JaGeo in https://github.com/materialsproject/jobflow/pull/644

Documentation 📖

Fix JobStore.from_file docstring by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/543
Added logo by @davidwaroquiers in https://github.com/materialsproject/jobflow/pull/569
fix firework command bug in doc by @chiang-yuan in https://github.com/materialsproject/jobflow/pull/589
Add JFR to readme. by @utf in https://github.com/materialsproject/jobflow/pull/595

House-Keeping 🧹

Migrate from pip to uv for CI dependency install by @janosh in https://github.com/materialsproject/jobflow/pull/574
Bump ruff and fix errors by @janosh in https://github.com/materialsproject/jobflow/pull/593

New Contributors

@FabiPi3 made their first contribution in https://github.com/materialsproject/jobflow/pull/578
@chiang-yuan made their first contribution in https://github.com/materialsproject/jobflow/pull/589

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.17...v0.1.18

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] over 1 year ago

New Features 🎉

Allow different UID types by @jmmshn in https://github.com/materialsproject/jobflow/pull/529

Enhancements 🛠

Optional Flag to help Debugging by @jmmshn in https://github.com/materialsproject/jobflow/pull/527
Add JOSS paper to README and docs by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/522
Remove debug print statements in tests + bump GH action versions by @janosh in https://github.com/materialsproject/jobflow/pull/523

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.16...v0.1.17

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] almost 2 years ago

Bug Fixes 🐛

Explicit warning stacklevels by @janosh in https://github.com/materialsproject/jobflow/pull/503
Fix handling of function from standard library by @gpetretto in https://github.com/materialsproject/jobflow/pull/516

Enhancements 🛠

Optionally avoid deserialization when resolving references by @gpetretto in https://github.com/materialsproject/jobflow/pull/512

Documentation 📖

Add documentation for how to deal with stores beyond MemoryStore by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/506
Fix tutorial bug by @mcgalcode in https://github.com/materialsproject/jobflow/pull/505
Fix tutorial link formatting in docs by @ml-evs in https://github.com/materialsproject/jobflow/pull/504
Add reference for jobflow-remote by @ml-evs in https://github.com/materialsproject/jobflow/pull/513

House-Keeping 🧹

Build docs on every push by @utf in https://github.com/materialsproject/jobflow/pull/507
Update deploy.yml by @utf in https://github.com/materialsproject/jobflow/pull/508

Other Changes

Auto-update pre-commit hooks by @github-actions in https://github.com/materialsproject/jobflow/pull/511

New Contributors

@ml-evs made their first contribution in https://github.com/materialsproject/jobflow/pull/504

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.15...v0.1.16

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] almost 2 years ago

What's Changed

Bug Fixes 🐛

Fix JobStoreDocument validator by @utf in https://github.com/materialsproject/jobflow/pull/478
fix Flow deserialization for hosts by @gpetretto in https://github.com/materialsproject/jobflow/pull/499 ### Enhancements 🛠
Formalizing the JobStore document format as a pydantic model by @hrushikesh-s in https://github.com/materialsproject/jobflow/pull/424
Simplify code by using Flow methods __len__ and __getitem__ by @janosh in https://github.com/materialsproject/jobflow/pull/467
run_locally() add root_dir: str | Path | None keyword by @janosh in https://github.com/materialsproject/jobflow/pull/486
Allow SSHTunnel in job stores by @mjwen in https://github.com/materialsproject/jobflow/pull/477 ### Documentation 📖
JOSS paper by @utf in https://github.com/materialsproject/jobflow/pull/446
JOSS Paper: Add missing DOIs by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/452
JOSS Paper: Reduce line-spacing in code blocks by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/454
JOSS Paper update: Add missing year to refs.bib by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/458
JOSS Paper: Remove stray tick mark in "[@montydb]`" by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/459
JOSS Paper: Add another missing year to refs.bib by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/461
Update refs.bib by @xuanxu in https://github.com/materialsproject/jobflow/pull/462
JOSS: Add missing , to paper by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/479
JOSS: Add more complete Zenodo reference info by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/481
JOSS: Fix references to include all coauthors and remove "others" by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/480
Add fibonacci example to tutorial by @JaGeo in https://github.com/materialsproject/jobflow/pull/494 ### House-Keeping 🧹
Remove __all__ from all modules by @janosh in https://github.com/materialsproject/jobflow/pull/442
Bump minimum Python version to 3.9 by @janosh in https://github.com/materialsproject/jobflow/pull/455
Replace deprecated pkg_resources with importlib.metadata.version by @janosh in https://github.com/materialsproject/jobflow/pull/460
Match atomate2 ruff config by @janosh in https://github.com/materialsproject/jobflow/pull/464
Test error messages by @janosh in https://github.com/materialsproject/jobflow/pull/465

New Contributors

@hrushikesh-s made their first contribution in https://github.com/materialsproject/jobflow/pull/424
@xuanxu made their first contribution in https://github.com/materialsproject/jobflow/pull/462

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.14...v0.1.15

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] about 2 years ago

Bug Fixes 🐛

Add warning when jobflow.yaml is blank or badly formatted by @mcgalcode in https://github.com/materialsproject/jobflow/pull/415
Fix issue with data store by @JaGeo in https://github.com/materialsproject/jobflow/pull/409
Make ensure_success apply to replace/detour/addition jobs by @mcgalcode in https://github.com/materialsproject/jobflow/pull/426 ### Enhancements 🛠
Add tests for Python 3.11 by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/413
Add support for Pydantic 2 by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/440 ### Documentation 📖
Link to @jageo's tutorials and fix a broken link by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/412
Update @arosen93 to @Andrew-S-Rosen by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/427

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.13...v0.1.14

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] about 2 years ago

Jobflow - v0.1.13

Bug Fixes:

Delete Flow.__deepcopy__ by @janosh in https://github.com/materialsproject/jobflow/pull/399

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

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] over 2 years ago

New Features 🎉

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

Bug Fixes 🐛

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

Enhancements 🛠

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

New Contributors

@xperrylinn made their first contribution in https://github.com/materialsproject/jobflow/pull/316
@JaGeo made their first contribution in https://github.com/materialsproject/jobflow/pull/350
@sivonxay made their first contribution in https://github.com/materialsproject/jobflow/pull/345
@mcgalcode made their first contribution in https://github.com/materialsproject/jobflow/pull/375

Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.11...v0.1.12

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] over 2 years ago

Jobflow - v0.1.11

Enable serialisation of bson.

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] almost 3 years ago

Jobflow - v0.1.10

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

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] almost 3 years ago

Jobflow - 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)
"jobuuid" and "jobindex" 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).

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] about 3 years ago

Jobflow - 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).

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] over 3 years ago

Jobflow - 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).

Scientific Software - Peer-reviewed - Python
Published by github-actions[bot] over 3 years ago