v0.29.0

[0.29.0] -- 2024-03-26

Added

• Added memory jinja2 block around memory options to override in custom SLURM scripts (#831).

Fixed

• Always write the nodes parameter on Expanse SBATCH scripts (#827).
• Ensure that a bundle exists in a project before yielding scheduler jobs from it (#758, #832).

v0.28.0

Version 0.28

Added

• Support the gpu_mig40 partition on UMich Great Lakes (#811).

Changed

• Move "Submit command" comment to end of pretend output (#805).
• Improve aggregate registration performance (#818).
• Hide empty "Labels" section in status output when there are no labels (#818).

Fixed

• Generate correct SLURM scripts on SDSC Expanse (#810).
• Suppress warning for regex operation names that match groups (#804).

Removed

• Remove Zenodo (#816).
• Remove stampede2 (#786).

Version 0.27.0

Version 0.27.0

Added

• Official Python 3.12 support (#788).
• Purdue Anvil environment and template (#775).

Changed

• The Stampede2 environment is deprecated (#798).
• Deprecate the current keys for submission/execution directives (#792).
• Show the "Using environment configuration:" message only in verbose output (#776).

Fixed

• srun invocation on Great-Lakes (#779).
• Restored static output of non-singleton groups (#773, #774).
• Remove warnings by using new jsonschema API (#787).

Version 0.26.1

Version 0.26.1

2023-09-19

Fixed

• Packaging of files in flow.scripts used in CLI (#765).
• Schedule 56 cores per node on OLCF Frontier (#764).

Version 0.26.0

Version 0.26.0

---

2023-09-06

Added

• Added feature to hide the status of the progress bar (#685).
• test-workflow CLI option for testing template environments/submission scripts (#747).
• Frontier environment and template (#743).
• Added -o / --operation flag to report project status information for specific operations (#725).

Changed

• Removed -o flag as an alias for --output in status CLI subcommand (#725).

Version 0.25.1

Version 0.25.1

2023-04-21

Fixed

• Delta hostname detection (#740).
• Fix filter argument (#737, #738).

Removed

• --doc-filter argument (#738).

v0.25.0

Version 0.25

2023-03-30

Changed

• Requires signac 2.0.0 (#734).

v0.24.0

Version 0.24.0

2023-02-22

Added

• Added the OCLF Crusher environment (#708).

Changed

• Switched to a pyproject.toml based build (#704).
• Placing @FlowProject.pre and @FlowProject.post before the FlowProject.operation decorator raises an error (#700).
• Updated CI to use GitHub Actions (#698).

Fixed

• Bumped isort to 5.12.0 in the pre-commit configuration file (#715).
• Fixed bundle status information not being correctly read for subclasses of FlowProject (#718, #720).

Removed

• @flow.aggregates.aggregator() use FlowProject.operation(aggregator=...) instead (#700).
• alias CLI argument to flow init (#700).
• FlowGroupEntry.with_directives use directives keyword argument in FlowGroupEntry()(#700).

v0.23.0

Version 0.23.0

2022-12-09

Added

---

• Official Python 3.11 support (#697).
• The flow.FlowProject.operation decorator now has an aggregator keyword argument: @FlowProject.operation(aggregator=aggregator.groupsof(2)) (#681).
• The FlowGroupEntry class can be called with a directives keyword argument: FlowGroupEntry(directives={...}) (#696).

Changed

---

• Deprecated using flow.aggregate.aggregator as a decorator.
• Deprecated placing @FlowProject.pre and @FlowProject.post before the FlowProject.operation decorator (#690).
• Require signac version 1.8.0 (#693).
• Deprecated alias CLI argument to flow init (#693).
• Algorithm for computing cluster job ids (#695).
• Deprecated FlowGroupEntry.with_directives in favor of a directives keyword argument in FlowGroupEntry()(#696).

Fixed

---

• Detecting correct environment on Delta GPU nodes (#682).
• Identical aggregates are used only once in submission and running (#694, #688).

Removed

---

• show_traceback from CLI and config (#690).
• Formatting the output of a FlowCmdOperation (#686).
• @flow.cms and flow.with_job (#686, #669).
• @FlowProject.operation.with_directives (#686).
• The flow.testing module (#691, #692).

v0.22.0

Version 0.22

[0.22.0] -- 2022-10-14

Added

• Support for formatting with operation function arguments for FlowCmdOperation (#666, #630).
• The CLI status command can show document parameters by using flag -p doc.PARAM (#667).
• FlowProject.operation now has cmd, with_job, and directives keyword only arguments (#679, #655, #669).

Changed

• Deprecated formatting the output of a FlowCmdOperation (#666, #630).
• @flow.cmd and flow.with_job are deprecated (#679, #669, #665).
• @FlowProject.operation.with_directives is deprecated (#679, #665).
• Deprecated the --show-traceback option for flow's CLI run and submitcommands (#674, #169).
• flow CLI run and submit show tracebacks by default (#674, #169).
• Broke TestBidict and TestTemplateFilters into smaller and simpler functions (#626).