CHANGELOG.md

Changelog

v0.1.4 (2024-09-13)

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Closed issues:

• Remote errors in interactive mode when larger workflows are run #174
• Add --query (or --worker) flag to jf job rerun/retry #170

Merged pull requests:

• Bugfix: improve collection indexes to prevent duplications #177 (gpetretto)
• Add --worker and --query option in CLI #171 (gpetretto)

v0.1.3 (2024-09-02)

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Closed issues:

• Cannot force delete more than 10 flows #169
• Issue with some db in DOWNLOAD state #161
• Jobs fail with error Remote error: file path/to/job_dir/remote_job_data.json for job xxx does not exist #157
• Correct setup of jfremote config project.yaml file for nested gateways #153
• Is there a way to visualize the workflow based on jobflow-remote info? #149
• Flow information is shared even when using different queue stores #144
• a suggestion to improve the documentation #143
• Delete job functionality #141
• Queue-out interactive mode #90
• Writing to home dir is crashing my submission. #81

Merged pull requests:

• Minor updates #156 (gpetretto)
• delete_job functionality #154 (gpetretto)
• Fix ruamel yaml dump #151 (davidwaroquiers)
• Add hyperlink for slurm and pbs resource keywords as a note in the documentation #148 (QuantumChemist)
• CLI add --pid option to jf job info #142 (janosh)
• Fix legacy ruff errors and enable corresponding rules for future linting #134 (janosh)

v0.1.2 (2024-06-26)

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Implemented enhancements:

• Allow setting resources for FAILED and COMPLETED jobs #119
• SUGGESTION: Catchall state for errors #111
• Flow information #19

Fixed bugs:

• Flow state stays COMPLETED when a job is rerun #118

Closed issues:

• Feature request: show more information about the flow(s) that will be deleted #130
• Feature request: optionally delete outputs when doing jf flow delete #129
• Feature request: support psutil 6.0.0 #128
• SUGGESTION: Add an example for querying results from the database #115

Merged pull requests:

• Small updates to JobController and CLI #132 (gpetretto)
• Migrate linting from flake8, isort, autoflake to ruff #122 (janosh)
• Minor updates #121 (gpetretto)
• Better error message on missing project name #120 (janosh)

v0.1.1 (2024-03-20)

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Closed issues:

• Two projects, job submission #89
• Add guard for missing additional_store before executing job #76
• PyPI release checklist #53

Merged pull requests:

• Tests and updates #92 (gpetretto)
• Add options for remote JobStore #88 (gpetretto)
• Updates #87 (gpetretto)
• Interactive login for MFA #83 (gpetretto)
• Add testing and runtime checks for additional stores #59 (ml-evs)
• Remove errant __init__.py that prevents mypy from working #54 (ml-evs)

v0.1.0 (2024-02-05)

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Closed issues:

• jf job list shows errors randomly #63
• Multiple lines to pre_run #61
• Add tests for Jobs with a function arg or kwarg #45
• Question about supported data types #44
• Error during retry #40
• 'REMOTE_ERROR' state for running job #36
• Targeted Python versions #33
• Jobflow dependency #30
• remote_job_data.json file missing #26
• Suggestion: improve -sdate option #24
• Job info for remote failures #20
• List of flows by state does not work #16
• Runner fails when default resources are provider per worker #14
• Cryptic failures when worker's workdir is missing #13
• Worker can be set to None leaving dead jobs #11
• Jobs with RESERVED state have datetime objects for last_updated field #8
• Command line "jf project" when there is no project #5
• .jfremote yaml test unsensitive to port change #4
• config issue #3

Merged pull requests:

• Update release workflow and README #72 (ml-evs)
• Add dev setup docs #57 (ml-evs)
• Add a test that runs with a given exec_config #56 (ml-evs)
• Pin dependency versions for testing, add PyPI release and enable dependabot #55 (ml-evs)
• Linting and pre-commit updates #52 (ml-evs)
• Add integration test for job with a callable as a kwarg #51 (ml-evs)
• Add codecov upload #49 (ml-evs)
• Fix README badge #48 (ml-evs)
• Breaking changes: db_id type, cancelled state, deserialization and documentation #47 (gpetretto)
• Added GitHub release workflow and docs builds #46 (davidwaroquiers)
• [WIP] New job management system #37 (gpetretto)
• Add index to the folder name #35 (gpetretto)
• Linting fixes and CI config for multiple Python 3.9+ #34 (ml-evs)
• Add containerized integration tests for remote and local workers using slurm #32 (ml-evs)
• Use the qtoolkit and jobflow PyPI packages, add direct pydantic dep #31 (ml-evs)
• [WIP] pydantic2 updates #29 (gpetretto)
• Run CI on PRs to develop branch #28 (ml-evs)
• fix typo in cli help message #25 (FabiPi3)
• jf flow info and other cli updates #23 (gpetretto)
• Stopped states. #22 (davidwaroquiers)
• Fixed jf flow list. #18 (davidwaroquiers)
• Restore queries based on job id #17 (gpetretto)
• Check work_dir with project check CLI and enforce absolute paths #15 (ml-evs)
• Fix handling of null worker in submit_flow #12 (ml-evs)
• Added documentation structure. #9 (davidwaroquiers)
• A few minor tweaks from first use #7 (ml-evs)
• Added dependencies in pyproject.toml. #2 (davidwaroquiers)
• WIP Config #1 (davidwaroquiers)

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