Changelog

v0.1.6 (2025-02-06)

Full Changelog

Closed issues:

• Replacing failed jobs and adding new jobs to a flow #250

Merged pull requests:

• Bug fix for Remote Host #253 (gpetretto)

• Hot fix to pin pymongo version to lower than 4.11. #251 (davidwaroquiers)

v0.1.5 (2025-01-29)

Full Changelog

Implemented enhancements:

• Optionally delay download after job end #210

• Add a backup feature #165

Closed issues:

• Print only with no wait #245

• Mismatched dumped taskdoc and database state #231

• Check status for simulation code in jf job list #227

• Successful Response not being written to jfremote_out.json #226

• jf admin upgrade causes a lot of errors #224

• QToolKit is currently pinned to development version #218

• Full-split : Remote Runner setup #214

• An Error occurred during the command execution: ValueError No daemon runner document. #211

• “Error executing jf project check –errors to connect to <cluster> (no additional info)” #208

• how to rerun a job but with improved memory #198

• Delete VASP files when rerunnning jobs? #197

• call jf from container #196

• how to limit number of jobs #195

• non-unique uuids as a problem in jobflow-remote #193

• Set projects_folder via env var #188

• Support for heterogeneous computing resources? #184

• Jobflow remote logo #178

• How could I use SGE for job submission? #159

• Check there is not already a runner running #140

• How to add metadata to flows docs? #124

• Job submission fails based on job name #112

• preventing reset issues #102

• Missing docs: batch mode #96

• Does jobflow-remote support the pilot job model? #86

Merged pull requests:

• bump qtoolkit 0.1.6 #248 (gpetretto)

• Make JobDoc available at runtime #244 (gpetretto)

• Finalize gui implementation #243 (gpetretto)

• fix typing for submit_flow #242 (FabiPi3)

• Web GUI for jobflow remote #241 (fraricci)

• Allow switching off daemon if no running runner doc #240 (gpetretto)

• Logo #239 (gpetretto)

• [WIP] Save db dumps for test failures #237 (gpetretto)

• Bump docker/bake-action from 5 to 6 #236 (dependabot[bot])

• Various updates #234 (gpetretto)

• [WIP] test direct execution of docker commands and addition of PBS container #233 (gpetretto)

• Testing adding flags for codecov, separating unit and integration tests. #232 (davidwaroquiers)

• Option for stored data in jf job list #228 (FabiPi3)

• Bump codecov/codecov-action from 4 to 5 #209 (dependabot[bot])

• Delete job files when rerunning; customizable execution command #201 (gpetretto)

• Add sanitization option to host outputs #191 (gpetretto)

• Add backup functionality #190 (gpetretto)

• Require date to reset DB #189 (gpetretto)

• Allow list of jobs from scheduler using username #187 (gpetretto)

• Option to set Job priority #183 (gpetretto)

• New CLI functionalities: tree, report, job info #180 (gpetretto)

• Parallel batch submission #172 (gpetretto)

• Generalize integration tests to other queue systems (SGE) and test more Python versions #160 (ml-evs)

• Project check #158 (davidwaroquiers)

• WIP: Check only one runner #150 (davidwaroquiers)

v0.1.4 (2024-09-13)

Full Changelog

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)

Full Changelog

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)

Full Changelog

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)

Full Changelog

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)

Full Changelog

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)

* This Changelog was automatically generated by github_changelog_generator