DCAN-Labs / DCAN-Labs/BIBSnet

Update NVIDIA CUDA PyTorch Driver in docker container to support sm_90

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enhancement
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Python
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Description

### A short summary of what you would like to see in BIBSnet.

I would appreciate an update to the NVIDA CUDA PyTorch Driver to support sm_90 in the BIBSnet container. The HPC computing environment I have available was brought on line recently and does not support the lower sm_ levels, so BIBSnet processing doesn't utilize the GPU capabilities that are available, and process only with CPU.

### Do you have any interest in helping implement the feature?

Yes!

### Add any additional information or context about the request here.

ERROR/WARNING when running apptainer container:
--------------------
/opt/conda/lib/python3.8/site-packages/torch/cuda/__init__.py:144: UserWarning:
NVIDIA H200 with CUDA capability sm_90 is not compatible with the current PyTorch installation.
The current PyTorch install supports CUDA capabilities sm_52 sm_60 sm_61 sm_70 sm_75 sm_80 sm_86 compute_86.
If you want to use the NVIDIA H200 GPU with PyTorch, please check the instructions at https://pytorch.org/get-started/locally/

GPU information on my server: (appologies that the table is messed up in this font)
--------------------------------------------------------------------------------------------
$ nvidia-smi --query-gpu=compute_cap
compute_cap
9.0
$ nvidia-smi
Wed Nov 19 11:39:04 2025
+-----------------------------------------------------------------------------------------+
| NVIDIA-SMI 580.95.05 Driver Version: 580.95.05 CUDA Version: 13.0 |
+-----------------------------------------+------------------------+----------------------+
| GPU Name Persistence-M | Bus-Id Disp.A | Volatile Uncorr. ECC |
| Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. |
| | | MIG M. |
|=========================================+========================+======================|
| 0 NVIDIA H200 On | 00000000:4C:00.0 Off | 0 |
| N/A 29C P0 76W / 700W | 0MiB / 143771MiB | 0% Default |
| | | Disabled |
+-----------------------------------------+------------------------+----------------------+

+-----------------------------------------------------------------------------------------+
| Processes: |
| GPU GI CI PID Type Process name GPU Memory |
| ID ID Usage |
|=========================================================================================|
| No running processes found |
+-----------------------------------------------------------------------------------------+

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