Sevennet broken with new v0.12.0 release

[orionarcher]

Hi @YutackPark it seems like the new sevennet release broke the TorchSim inteface, would you mind taking a look?

Thank you!

[YutackPark]

Sorry for the late reply, and thanks for the report. If you are referring to the SIGSEGV that occurs when initializing the SevenNet model, I believe SevenNet has an issue with the very latest PyTorch versions. I encountered this problem with torch==2.9.1, but after downgrading to 2.7.1, it worked.

I think the same issue could also appear in older SevenNet versions when used with the latest PyTorch, as we have not changed or modified the model creation interface (it will be always backward-compatible). We will look into the problem and I will share updates here.

Package                  Version     Editable project location
------------------------ ----------- ---------------------------------
aiohappyeyeballs         2.6.1
aiohttp                  3.12.14
aiosignal                1.4.0
ase                      3.25.0
attrs                    25.3.0
blosc2                   3.12.2
braceexpand              0.1.7
certifi                  2025.7.14
charset-normalizer       3.4.2
contourpy                1.3.2
cycler                   0.12.1
e3nn                     0.5.6
filelock                 3.18.0
fonttools                4.59.0
frozenlist               1.7.0
fsspec                   2025.7.0
h5py                     3.15.1
idna                     3.10
jinja2                   3.1.6
joblib                   1.5.1
kiwisolver               1.4.8
markupsafe               3.0.2
matplotlib               3.10.3
matscipy                 1.1.1
mpmath                   1.3.0
msgpack                  1.1.2
multidict                6.6.3
ndindex                  1.10.1
networkx                 3.5
ninja                    1.13.0
numexpr                  2.14.1
numpy                    1.26.4
nvidia-cublas-cu12       12.6.4.1
nvidia-cuda-cupti-cu12   12.6.80
nvidia-cuda-nvrtc-cu12   12.6.77
nvidia-cuda-runtime-cu12 12.6.77
nvidia-cudnn-cu12        9.5.1.17
nvidia-cufft-cu12        11.3.0.4
nvidia-cufile-cu12       1.11.1.6
nvidia-curand-cu12       10.3.7.77
nvidia-cusolver-cu12     11.7.1.2
nvidia-cusparse-cu12     12.5.4.2
nvidia-cusparselt-cu12   0.6.3
nvidia-nccl-cu12         2.26.2
nvidia-nvjitlink-cu12    12.6.85
nvidia-nvtx-cu12         12.6.77
opt-einsum               3.4.0
opt-einsum-fx            0.1.4
packaging                25.0
pandas                   2.3.1
pillow                   11.3.0
platformdirs             4.5.1
propcache                0.3.2
psutil                   7.0.0
py-cpuinfo               9.0.0
pyparsing                3.2.3
python-dateutil          2.9.0.post0
pytz                     2025.2
pyyaml                   6.0.2
requests                 2.32.4
scikit-learn             1.7.0
scipy                    1.16.0
setuptools               80.9.0
sevenn                   0.12.0      /home/parkyutack/project/SevenNet
six                      1.17.0
sympy                    1.14.0
tables                   3.10.2
threadpoolctl            3.6.0
torch                    2.7.1
torch-geometric          2.6.1
torch-sim-atomistic      0.5.0
tqdm                     4.67.1
triton                   3.3.1
typing-extensions        4.14.1
tzdata                   2025.2
urllib3                  2.5.0
yarl                     1.20.1

[YutackPark]

Wait, I tried again, but now I cannot reproduce the error. It works without any problems with the latest torch, torch-sim, and SevenNet==0.12.0.

Could you share more details?