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deepmodeling / dpdispatcher

generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
https://docs.deepmodeling.com/projects/dpdispatcher/
GNU Lesser General Public License v3.0
45 stars 57 forks source link

feat: `dpdisp run` #456

Closed njzjz closed 6 months ago

njzjz commented 6 months ago

Summary by CodeRabbit

coderabbitai[bot] commented 6 months ago
Walkthrough ## Walkthrough The update enhances the `dpdispatcher` package by enabling the execution of Python scripts with PEP 723 metadata. It includes correcting a spelling error in the README and adding a new term in the documentation. The core changes involve implementing features for script execution, handling script metadata, creating submission instances for script execution, and integrating these enhancements into the existing command-line interface. ## Changes | Files | Change Summary | |-------|----------------| | `README.md` | Corrected a spelling error in the reference section. | | `doc/index.rst` | Added a new term "run" to the documentation. | | `dpdispatcher/dpdisp.py`, `dpdispatcher/entrypoints/run.py`, `dpdispatcher/run.py` | Added functionality for running Python scripts with PEP 723 metadata. | | `examples/dpdisp_run.py`, `tests/hello_world.py` | Introduced configuration settings and basic operational tests. | | `pyproject.toml` | Updated dependencies to include `tomli` for Python versions below 3.11. | | `tests/context.py`, `tests/test_cli.py`, `tests/test_run.py` | Updated and added tests to support new `run` functionality. |
Recent Review Details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between 62c71189aad69886ee5cbc97d9f6308ea44bed12 and 1fa57e31ce8bc70af2ac4e8eeae9e53f9e4b909e.
Files selected for processing (2) * doc/run.md (1 hunks) * dpdispatcher/run.py (1 hunks)
Additional Context Used
LanguageTool (2)
doc/run.md (2)
Near line 2: Possible spelling mistake found. Context: # Run Python scripts DPDispatcher can be used to directly run a single Py... --- Near line 17: Possible spelling mistake found. Context: ...: ``` The PEP 723 metadata entries for `tool.dpdispatcher` are defined as follows: ```{eval-rst}...
GitHub Check Runs (1)
codecov/patch success (6)
dpdispatcher/run.py: [warning] 42-42: dpdispatcher/run.py#L42 Added line #L42 was not covered by tests --- dpdispatcher/run.py: [warning] 51-51: dpdispatcher/run.py#L51 Added line #L51 was not covered by tests --- dpdispatcher/run.py: [warning] 139-141: dpdispatcher/run.py#L139-L141 Added lines #L139 - L141 were not covered by tests --- dpdispatcher/run.py: [warning] 145-145: dpdispatcher/run.py#L145 Added line #L145 was not covered by tests --- dpdispatcher/run.py: [warning] 166-166: dpdispatcher/run.py#L166 Added line #L166 was not covered by tests
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codecov[bot] commented 6 months ago

Codecov Report

Attention: Patch coverage is 88.15789% with 9 lines in your changes are missing coverage. Please review.

Project coverage is 47.77%. Comparing base (8ac13da) to head (1fa57e3).

Files Patch % Lines
dpdispatcher/run.py 89.39% 7 Missing :warning:
dpdispatcher/dpdisp.py 60.00% 2 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #456 +/- ## =========================================== - Coverage 59.96% 47.77% -12.19% =========================================== Files 36 38 +2 Lines 3662 3738 +76 =========================================== - Hits 2196 1786 -410 - Misses 1466 1952 +486 ```

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