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@allaffa allaffa commented Oct 4, 2025

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OpenEquivariance Integration added 9 commits October 4, 2025 18:28
- Created test_openequivariance_basic.py with 11 integration tests
- Created test_openequivariance_numerical_equivalence.py with 8 equivalence tests
- Tests verify OpenEquivariance and e3nn produce identical results
- All test functions use pytest_ naming convention for HydraGNN compatibility
- Tests gracefully handle OpenEquivariance availability/unavailability
- Comprehensive coverage of tensor operations, MACE integration, and configuration"
- Reformatted 6 files according to HydraGNN's black style guidelines
- Added comprehensive integration documentation (OPENEQUIVARIANCE_INTEGRATION.md)
- All code now follows project formatting standards
- Ready for production use"
- Add explicit enable_openequivariance parameter to MACEStack.__init__()
- Fix TypeError: __init__() got unexpected keyword argument 'enable_openequivariance'
- Change test dtype from float64 to float32 for e3nn compatibility
- Resolve TorchScript tensordot dtype mismatch errors in CI tests
- Maintain backward compatibility with default enable_openequivariance=False"
- Remove enable_openequivariance from explicit parameter list to avoid conflict
- Extract parameter from kwargs using pop() instead of get()
- Resolves: TypeError: MACEStack.__init__() got multiple values for argument 'enable_openequivariance'
- Parameter was being passed both positionally through **kwargs and explicitly
- Now properly handles the parameter through kwargs extraction only"
Root Cause Analysis:
- __getattr__ methods in OptimizedTensorProduct and OptimizedLinear were interfering with attribute creation
- During __init__, assignments like self.tensor_product = ... would trigger __getattr__ causing AttributeError
- This prevented the underlying e3nn objects from being created properly

Solution:
- Removed problematic __getattr__ delegation methods that caused recursion issues
- Added explicit weight_numel property to OptimizedTensorProduct with intelligent fallback
- Simplified attribute access to avoid interference with object initialization

Test Results:
✅ pytest_train_model[ci.json-MACE] - PASSED
✅ pytest_train_model[ci_multihead.json-MACE] - PASSED
✅ pytest_train_mace_model_lengths[MACE] - PASSED
✅ pytest_train_equivariant_model[MACE] - PASSED

This resolves the core CI failures related to 'weight_numel' attribute errors."
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