Change log¶
v0.1.18¶
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 toResponse
class to record where a job ran by @janosh in https://github.com/materialsproject/jobflow/pull/570Add 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/543Added 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
touv
for CI dependency install by @janosh in https://github.com/materialsproject/jobflow/pull/574Bump
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
v0.1.17¶
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
v0.1.16¶
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/506Fix 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
v0.1.15¶
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/467run_locally()
addroot_dir: str | Path | None
keyword by @janosh in https://github.com/materialsproject/jobflow/pull/486Allow 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/458JOSS 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/461Update 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/479JOSS: 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/442Bump minimum Python version to 3.9 by @janosh in https://github.com/materialsproject/jobflow/pull/455
Replace deprecated
pkg_resources
withimportlib.metadata.version
by @janosh in https://github.com/materialsproject/jobflow/pull/460Match
atomate2
ruff
config by @janosh in https://github.com/materialsproject/jobflow/pull/464Test 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
v0.1.14¶
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
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
v0.1.12¶
New features:
Add
to_mermaid
function to convert flow to mermaid syntax by @utf in https://github.com/materialsproject/jobflow/pull/311Allow 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/351Propagate tags from
fw_spec
to metadata by @sivonxay in https://github.com/materialsproject/jobflow/pull/345Allow 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/376Flow
+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: usedefault_factory
by @janosh in https://github.com/materialsproject/jobflow/pull/387Fixed 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 toflow_to_workflow(
by @janosh in https://github.com/materialsproject/jobflow/pull/396Fix 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 originaldict_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 @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/343
Fix typo in docs by @Andrew-S-Rosen 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 @Andrew-S-Rosen 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 @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/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 (@Andrew-S-Rosen, #121).S3Store yaml parsing (@jmmshn, #124).
Bug fixes:
Fix home path for loading settings (@gpetretto, #119).
Docs updates (@Andrew-S-Rosen, #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 toJob
andFlow
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 torun_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
withnested=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
andOutputReference.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
, andJobStore
API.Tools for running Flows locally.
Fireworks integration.