Caltech-AMBER / ambersim

In-house tools built on GPU-accelerated simulation
MIT License
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Upgrade `cuda` to 12.2 or 12.3 #11

Open alberthli opened 10 months ago

alberthli commented 10 months ago

We are currently stuck on cuda11.8. The main reason is that to futureproof, we want this repo to be compatible with stable torch and jax at the same time. However, torch's cuda version is pinned to 12.1 while jax requires at least 12.2, which makes installing from pip challenging (it's possible to get the installations to play nicely installing from source, but this makes using this package cumbersome).