test(pt): add common test case for model/atomic model

[njzjz]

Fix #3501. Fix #3517. Fix #3518.

Summary by CodeRabbit

• Tests
  • Expanded testing capabilities for atomic and energy models to improve accuracy and reliability in energy calculations.
  • Implemented new test cases for atomic and energy models, along with common model test cases, to validate diverse functionalities and calculations.
  • Introduced test case classes for atomic and energy models with methods to assess parameters, types, outputs, and forward computations.
  • Added utility functions for testing PyTorch-based deep learning models with a custom backend.

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Commits

Files that changed from the base of the PR and between 694d500 and 7cb00b9.

Walkthrough

The recent changes involve improvements across various components related to atomic models, model testing, and utility functions. These updates include additions like new methods for model classes, expanded functionalities for building neighbor lists, and the introduction of SPDX license identifiers in test modules.

Changes

Files Affected	Summary of Changes
deepmd/dpmodel/model/make_model.py	- Added a new method get_ntypes to class CM for determining the number of types.
source/tests/universal/common/backend.py source/tests/universal/dpmodel/backend.py	- Introduced test case classes BackendTestCase and DPTestCase with extended functionalities for testing modules.
source/tests/universal/common/cases/atomic_model/utils.py source/tests/universal/common/cases/model/utils.py	- Added AtomicModelTestCase and ModelTestCase classes with common test cases and methods for atomic and general models, respectively.
source/tests/universal/pt/backend.py	- Introduced PTTestCase class for testing PyTorch modules with methods for module scripting, deserialization, and JIT testing.

Assessment against linked issues

Objective	Addressed	Explanation
Test serialization & deserialization (#3501)	✅
Test get_sel, get_type, etc. for models (#3517)	❓	The changes focus on general model testing functionalities; it's unclear if specific tests for get_sel, get_type, etc., have been added.
Test JIT interface for all models (#3518)	✅

The recent code changes align well with the objectives outlined in the linked issues, particularly in enhancing serialization/deserialization tests and ensuring JIT interface testing for all models. However, the specific testing for get_sel, get_type, and similar functions needs further verification for clarity.

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[codecov]

Codecov Report

Attention: Patch coverage is 94.44444% with 1 line in your changes missing coverage. Please review.

Project coverage is 74.42%. Comparing base (d62a41f) to head (7cb00b9).
Report is 142 commits behind head on devel.

Files	Patch %	Lines
deepmd/dpmodel/utils/nlist.py	88.88%	1 Missing ⚠️

❗ There is a different number of reports uploaded between BASE (d62a41f) and HEAD (7cb00b9). Click for more details.

HEAD has 20 uploads less than BASE

Flag	BASE (d62a41f)	HEAD (7cb00b9)
	28	8

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #3767      +/-   ##
==========================================
- Coverage   82.58%   74.42%   -8.17%     
==========================================
  Files         515      515              
  Lines       48796    48795       -1     
  Branches     2982     2982              
==========================================
- Hits        40300    36317    -3983     
- Misses       7585    11775    +4190     
+ Partials      911      703     -208     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

[njzjz]

#3763 has fixed the tests, so I'll not resolve it in this PR.

[iProzd]

1. Do we need a similar test for DP models? or we use a consistent test.
2. The forward and forward_lower test is different for spin_models, see source/tests/pt/model/test_forward_lower.py

[wanghan-iapcm]

I agree with @iProzd , a multi-backend test support is necessary.

[coderabbitai]

Actionable comments posted: 0

Out of diff range and nitpick comments (2)

deepmd/dpmodel/model/make_model.py (1)

Line range hint 46-91: Consider adding comments to explain each step in the call method for better readability and maintainability.

deepmd/pt/model/atomic_model/base_atomic_model.py (1)

Line range hint 115-157: Consider adding comments to explain each step in the forward_common_atomic method for better readability and maintainability.

[coderabbitai]

Actionable comments posted: 2

[iProzd]

Comments updated below.

[iProzd]

1. As @wanghan-iapcm said, if we want to add a test, such as permutation invariance, the standard way is to add a common test method in AtomicModelTestCase right?
2. If one model has different behavior to test a common test method, such as forward_lower test for SpinModel, it's expected to overwrite the method in SpinModel's test case. Is it right?

[njzjz]

1. As @wanghan-iapcm said, if we want to add a test, such as permutation invariance, the standard way is to add a common test method in AtomicModelTestCase right?

   2. If one model has different behavior to test a common test method, such as forward_lower test for SpinModel, it's expected to overwrite the method in SpinModel's test case. Is it right?

You are correct.