test(dpa4): enable array-api-strict consistency tests by njzjz · Pull Request #5751 · deepmodeling/deepmd-kit

njzjz · 2026-07-07T17:06:23Z

Summary

add array-api-strict wrappers for the DPA4 descriptor and SeZM energy fitting net
enable array-api-strict coverage in the existing DPA4 descriptor/fitting consistent tests
make DPA4 scalar RMSNorm indexing array-api-strict compliant and lazy-load DPA4 PT test classes during PT-only execution

Validation

ruff format .
ruff check .
pytest source/tests/consistent/descriptor/test_dpa4.py source/tests/consistent/fitting/test_dpa4_ener.py -q -k array_api_strict -> 32 passed, 224 deselected
pytest source/tests/consistent/descriptor/test_dpa4.py source/tests/consistent/fitting/test_dpa4_ener.py -q -k dp_self_consistent -> 16 passed, 240 deselected

Summary by CodeRabbit

New Features
- Expanded strict array-API coverage for the DPA4 descriptor and DPA4 energy fitting workflow, including new DPA4 strict descriptor exports and energy fitting wrappers.
Bug Fixes
- Corrected 2D input normalization scaling so the applied scale matches the expected channel layout.
Tests
- Updated consistency tests to conditionally enable the strict backend and added strict-backend evaluation helpers for descriptor and energy outputs.

Copilot

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coderabbitai · 2026-07-07T17:15:11Z

No actionable comments were generated in the recent review. 🎉

ℹ️ Recent review info

⚙️ Run configuration

Configuration used: Repository UI

Review profile: CHILL

Plan: Pro

Run ID: 8f7c92e8-6638-4840-8e2e-47bf92def831

📥 Commits

Reviewing files that changed from the base of the PR and between 1ea384c and 55a1c15.

📒 Files selected for processing (2)

source/tests/consistent/descriptor/test_dpa4.py
source/tests/consistent/fitting/test_dpa4_ener.py

🚧 Files skipped from review as they are similar to previous changes (2)

source/tests/consistent/descriptor/test_dpa4.py
source/tests/consistent/fitting/test_dpa4_ener.py

📝 Walkthrough

Walkthrough

This PR fixes 2D ScalarRMSNorm scaling and adds array-api-strict DPA4 descriptor and fitting wrappers, registration setup, and consistency-test execution.

Changes

ScalarRMSNorm Fix

Layer / File(s)	Summary
2D adam_scale slice `deepmd/dpmodel/descriptor/dpa4_nn/norm.py`	Changes the 2D `adam_scale` index from `[0]` to `[0, :]` before elementwise scaling.

Array-API-Strict DPA4 Support

Layer / File(s)	Summary
Registration imports `source/tests/array_api_strict/common.py`	Adds DPA4 descriptor and fitting modules to strict registration setup.
Strict descriptor wrapper `source/tests/array_api_strict/descriptor/dpa4.py`, `source/tests/array_api_strict/descriptor/__init__.py`	Adds `DescrptDPA4`, registers aliases and DPModel mappings, and exports the descriptor.
Strict fitting wrapper `source/tests/array_api_strict/fitting/dpa4_ener.py`, `source/tests/array_api_strict/fitting/__init__.py`	Adds strict fitting wrappers, updates `NETWORK_TYPE_MAP`, and exports `SeZMEnergyFittingNet`.
Consistency test wiring `source/tests/consistent/descriptor/test_dpa4.py`, `source/tests/consistent/fitting/test_dpa4_ener.py`	Enables array-api-strict DPA4 evaluation with conditional backend loading and output conversion.

Estimated code review effort: 3 (Moderate) | ~25 minutes

Sequence Diagram(s)

sequenceDiagram
  participant TestDPA4Ener
  participant array_api_strict
  participant SeZMEnergyFittingNet
  participant to_numpy_array

  TestDPA4Ener->>array_api_strict: asarray(inputs and atype)
  TestDPA4Ener->>SeZMEnergyFittingNet: evaluate strict arrays
  SeZMEnergyFittingNet-->>TestDPA4Ener: energy output
  TestDPA4Ener->>to_numpy_array: convert energy

Possibly related PRs

deepmodeling/deepmd-kit#5522: Both changes modify DPA4 normalization and ScalarRMSNorm.call adam_scale indexing.

Suggested labels: bug

Suggested reviewers: iProzd, OutisLi

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 warning)

Check name	Status	Explanation	Resolution
Docstring Coverage	⚠️ Warning	Docstring coverage is 0.00% which is insufficient. The required threshold is 80.00%.	Write docstrings for the functions missing them to satisfy the coverage threshold.

✅ Passed checks (4 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title check	✅ Passed	The title clearly summarizes the main change: enabling array-api-strict consistency tests for DPA4.
Linked Issues check	✅ Passed	Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check	✅ Passed	Check skipped because no linked issues were found for this pull request.

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🧹 Nitpick comments (1)

source/tests/array_api_strict/fitting/dpa4_ener.py (1)
21-46: 📐 Maintainability & Code Quality | 🔵 Trivial | 💤 Low value

Drop the redundant register_dpmodel_mapping calls
@array_api_strict_module already registers the GLUFittingNetDP and SeZMNetworkCollectionDP converters here, so the explicit calls at lines 38-46 just overwrite the same entries and can be removed for consistency.
🤖 Prompt for AI Agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

In `@source/tests/array_api_strict/fitting/dpa4_ener.py` around lines 21 - 46,
Remove the redundant explicit register_dpmodel_mapping calls in the
array_api_strict dpa4_ener module, since the `@array_api_strict_module` decorator
already registers the GLUFittingNetDP and SeZMNetworkCollectionDP converters.
Keep the wrapper classes like GLUFittingNet and SeZMNetworkCollection, but
delete the duplicate mapping registrations so the module relies on the
decorator-based registration consistently.

🤖 Prompt for all review comments with AI agents

Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Nitpick comments:
In `@source/tests/array_api_strict/fitting/dpa4_ener.py`:
- Around line 21-46: Remove the redundant explicit register_dpmodel_mapping
calls in the array_api_strict dpa4_ener module, since the
`@array_api_strict_module` decorator already registers the GLUFittingNetDP and
SeZMNetworkCollectionDP converters. Keep the wrapper classes like GLUFittingNet
and SeZMNetworkCollection, but delete the duplicate mapping registrations so the
module relies on the decorator-based registration consistently.

ℹ️ Review info

⚙️ Run configuration

Configuration used: Repository UI

Review profile: CHILL

Plan: Pro

Run ID: 04436c20-ae4a-4583-8b28-59bda92631dd

📥 Commits

Reviewing files that changed from the base of the PR and between 1cd6556 and 668dd1f.

📒 Files selected for processing (8)

deepmd/dpmodel/descriptor/dpa4_nn/norm.py
source/tests/array_api_strict/common.py
source/tests/array_api_strict/descriptor/__init__.py
source/tests/array_api_strict/descriptor/dpa4.py
source/tests/array_api_strict/fitting/__init__.py
source/tests/array_api_strict/fitting/dpa4_ener.py
source/tests/consistent/descriptor/test_dpa4.py
source/tests/consistent/fitting/test_dpa4_ener.py

codecov · 2026-07-07T18:14:18Z

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 79.53%. Comparing base (1cd6556) to head (55a1c15).
⚠️ Report is 12 commits behind head on master.

Additional details and impacted files

@@            Coverage Diff             @@
##           master    #5751      +/-   ##
==========================================
- Coverage   79.61%   79.53%   -0.09%     
==========================================
  Files        1014     1015       +1     
  Lines      115360   115780     +420     
  Branches     4274     4276       +2     
==========================================
+ Hits        91843    92084     +241     
- Misses      21976    22153     +177     
- Partials     1541     1543       +2

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njzjz · 2026-07-08T11:56:51Z

Addressed the CodeRabbit review in a5b9a6d: removed the redundant register_dpmodel_mapping calls in source/tests/array_api_strict/fitting/dpa4_ener.py and kept the decorator-based registration.

Restore the established eager conditional-import pattern for the PyTorch backends while retaining the array-api-strict coverage. Coding-Agent: Codex Codex-Version: codex-cli 0.144.1 Model: gpt-5.6-sol Reasoning-Effort: xhigh

test(dpa4): enable array-api-strict consistency tests

668dd1f

njzjz requested review from OutisLi, Copilot and wanghan-iapcm July 7, 2026 17:06

Copilot AI reviewed Jul 7, 2026

github-actions Bot added the Python label Jul 7, 2026

dosubot Bot added the enhancement label Jul 7, 2026

github-advanced-security AI found potential problems Jul 7, 2026

View reviewed changes

Comment thread source/tests/array_api_strict/descriptor/dpa4.py Fixed

Comment thread source/tests/array_api_strict/descriptor/dpa4.py Fixed

Comment thread source/tests/array_api_strict/fitting/dpa4_ener.py Fixed

coderabbitai Bot reviewed Jul 7, 2026

View reviewed changes

test(dpa4): address array api strict review comments

a5b9a6d

wanghan-iapcm approved these changes Jul 11, 2026

View reviewed changes

test(dpa4): simplify backend imports

55a1c15

Restore the established eager conditional-import pattern for the PyTorch backends while retaining the array-api-strict coverage. Coding-Agent: Codex Codex-Version: codex-cli 0.144.1 Model: gpt-5.6-sol Reasoning-Effort: xhigh

njzjz force-pushed the feat/dpa4-array-api-strict branch from 1ea384c to 55a1c15 Compare July 11, 2026 05:57

OutisLi approved these changes Jul 11, 2026

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OutisLi added this pull request to the merge queue Jul 11, 2026

Merged via the queue into deepmodeling:master with commit 49eeda7 Jul 12, 2026
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test(dpa4): enable array-api-strict consistency tests#5751

test(dpa4): enable array-api-strict consistency tests#5751
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njzjz:feat/dpa4-array-api-strict

njzjz commented Jul 7, 2026 •

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