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Hi,
I noticed some issues with the new nvalchemiops package, v0.3.0, failing to load dftd3 module. Here is the traceback
Traceback (most recent call last):
File "python-env/lib/python3.13/site-packages/openmmml/models/aimnet2potential.py", line 66, in addForces
from aimnet.calculators import AIMNet2Calculator
File "directory/aimnetcentral/aimnet/calculators/__init__.py", line 3, in <module>
from .calculator import AIMNet2Calculator
File "directory/aimnetcentral/aimnet/calculators/calculator.py", line 10, in <module>
from aimnet.models.base import load_model
File "directory/aimnetcentral/aimnet/models/__init__.py", line 1, in <module>
from .aimnet2 import AIMNet2 # noqa: F401
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "directory/aimnetcentral/aimnet/models/aimnet2.py", line 8, in <module>
from aimnet.modules import AEVSV, MLP, ConvSV, Embedding
File "directory/aimnetcentral/aimnet/modules/__init__.py", line 3, in <module>
from .lr import D3TS, DFTD3, LRCoulomb, SRCoulomb # noqa: F401
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "directory/aimnetcentral/aimnet/modules/lr.py", line 7, in <module>
from aimnet.modules.ops import dftd3_energy
File "directory/aimnetcentral/aimnet/modules/ops.py", line 59, in <module>
from nvalchemiops.interactions.dispersion.dftd3 import dftd3
ModuleNotFoundError: No module named 'nvalchemiops.interactions.dispersion.dftd3'
No issues with previous version v0.2.0.
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