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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
42 stars 56 forks source link

feat: export resources information to the environment variables #478

Closed njzjz closed 1 month ago

njzjz commented 1 month ago

Fix #477.

Summary by CodeRabbit

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Commits Files that changed from the base of the PR and between 3d1c5923dd54002dd28cab12c5059dbf5b95e006 and e2f5bc5883954f37ee27b7f6290d1e8cae5a8ad1.
Walkthrough ## Walkthrough The recent changes focus on enhancing the documentation and implementation of environment variables within the `DPDispatcher`. Key modifications include updates to terminology for clarity, the introduction of specific environment variables related to job execution, and improvements to command-line instructions. These changes aim to provide a better user experience and ensure consistency in the documentation, while the underlying functionality of the system remains unchanged. ## Changes | Files | Change Summary | |------------------------------------|-----------------------------------------------------------------------------------------------------------------------------------------| | doc/context.md, doc/env.md | Updated terminology from "environmental variables" to "environment variables"; added section detailing environment variables for `dpdispatcher`. | | doc/index.rst | Added `env` to the monitored components list for `DPDispatcher`. | | dpdispatcher/machine.py | Introduced a new dictionary structure in `gen_script_env` method to include additional environment variables related to resource attributes. | | dpdispatcher/submission.py | Improved documentation strings for parameters in `load_from_dict` method for clarity and grammatical correctness. | | tests/test_run_submission.py | Modified `test_run_submission` function to include conditional checks in the command string for more accurate resource validation. | ## Sequence Diagram(s) ```mermaid sequenceDiagram participant User participant DPDispatcher participant Job User->>DPDispatcher: Submit job DPDispatcher->>Job: Set environment variables Job->>DPDispatcher: Execute with environment DPDispatcher-->>User: Job results ``` ## Assessment against linked issues | Objective | Addressed | Explanation | |---------------------------------------------|-----------|--------------------------------| | Set useful environment variables (#477) | ✅ | |

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codecov[bot] commented 1 month ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 47.48%. Comparing base (a64a81a) to head (e2f5bc5).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #478 +/- ## ========================================== + Coverage 47.46% 47.48% +0.01% ========================================== Files 39 39 Lines 3849 3850 +1 ========================================== + Hits 1827 1828 +1 Misses 2022 2022 ```

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