Add CLI command to dump inputs/outputs of `CalcJob`/`WorkChain`#6276

Merged

sphuber merged 30 commits intoaiidateam:mainfrom qiaojunfeng:cli_workchain

May 27, 2024

+1,222-7

Commits on May 27, 2024

CLI: Add dumping functionality.

GeigerJ2
authored and
sphuber
committed
CLI: Add dumping functionality.

GeigerJ2
authored and
sphuber
committed
Fix process dump and docstring formatting

GeigerJ2
authored and
sphuber
committed
Echo missing plugin for --use-presubmit

GeigerJ2
authored and
sphuber
committed
Some cleanup and refactor

GeigerJ2
authored and
sphuber
committed
Big refactor to make code more concise

GeigerJ2
authored and
sphuber
committed
Add first version of --flat option.

GeigerJ2
authored and
sphuber
committed
Shelfed --use-presubmit option

GeigerJ2
authored and
sphuber
committed
Updated tests for calcjob_dumps after code changes

GeigerJ2
authored and
sphuber
committed
Finalized tests apart from YAML dumping

GeigerJ2
authored and
sphuber
committed
Output of process status/report/show/ to README

GeigerJ2
authored and
sphuber
committed
Naming: dump -> process_dump in cmd_process

GeigerJ2
authored and
sphuber
committed
Moved logic for calcjob_io_paths to own function

GeigerJ2
authored and
sphuber
committed
test

GeigerJ2
authored and
sphuber
committed
♻️ First working OOP-version using ProcessDumper

GeigerJ2
authored and
sphuber
committed
All functionality of the Python API fully tested

GeigerJ2
authored and
sphuber
committed
Add documentation in How to work with data

GeigerJ2
authored and
sphuber
committed
Fix check for CalculationNode in dump.

GeigerJ2
authored and
sphuber
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks

pre-commit-ci[bot]
authored and
sphuber
committed
Fix annotations for 3.9 test suite

GeigerJ2
authored and
sphuber
committed
Fix dump_node_yaml before CalcJob dump

GeigerJ2
authored and
sphuber
committed
Fix failing test due to missing metadata YAML

GeigerJ2
authored and
sphuber
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks

pre-commit-ci[bot]
authored and
sphuber
committed
Final cleanup

GeigerJ2
authored and
sphuber
committed
Add _workflow_dump and change link node dumping

GeigerJ2
authored and
sphuber
committed
Updated tests

GeigerJ2
authored and
sphuber
committed
Resolve comments of reviews by Seb and Alex

GeigerJ2
authored and
sphuber
committed
Remove underscores for metadata.yaml properties

GeigerJ2
authored and
sphuber
committed
Update documentation

GeigerJ2
authored and
sphuber
committed
README as .md and wrap cmd_process outputs

GeigerJ2
authored and
sphuber
committed

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Add CLI command to dump inputs/outputs of `CalcJob`/`WorkChain`#6276

Commits on May 27, 2024

CLI: Add dumping functionality.

CLI: Add dumping functionality.

Fix process dump and docstring formatting

Echo missing plugin for `--use-presubmit`

Some cleanup and refactor

Big refactor to make code more concise

Add first version of `--flat` option.

Shelfed `--use-presubmit` option

Updated tests for calcjob_dumps after code changes

Finalized tests apart from YAML dumping

Output of `process status/report/show/` to README

Naming: `dump` -> `process_dump` in `cmd_process`

Moved logic for calcjob_io_paths to own function

test

♻️ First working OOP-version using `ProcessDumper`

All functionality of the Python API fully tested

Add documentation in `How to work with data`

Fix check for `CalculationNode` in `dump`.

[pre-commit.ci] auto fixes from pre-commit.com hooks

Fix annotations for 3.9 test suite

Fix `dump_node_yaml` before `CalcJob` dump

Fix failing test due to missing metadata YAML

[pre-commit.ci] auto fixes from pre-commit.com hooks

Final cleanup

Add `_workflow_dump` and change link node dumping

Updated tests

Resolve comments of reviews by Seb and Alex

Remove underscores for metadata.yaml properties

Update documentation

README as `.md` and wrap `cmd_process` outputs