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rascaline.torch install requests CUDA_TOOLKIT_ROOT_DIR

Open bananenpampe opened this issue 8 months ago • 4 comments

Hello,

I am trying to make this installscript run. On my M1 mac it runs without problems, on cosmosrv it yields this error:

CUDA_TOOLKIT_ROOT_DIR not found or specified

what can be done to fix it?

#!/bin/bash
  
conda install -c conda-forge rust python=3.10

#purge conda cache
conda clean --all

#purge the pip cache
pip cache purge

# pip installs
pip install cmake numpy
pip install --extra-index-url https://download.pytorch.org/whl/cpu torch==2.3.0

pip install -r requirements.txt

pip install metatensor
pip install metatensor-core
pip install metatensor-operations
pip install metatensor-torch

pip install git+https://github.com/Luthaf/rascaline
pip install git+https://github.com/luthaf/rascaline#subdirectory=python/rascaline-torch

bananenpampe avatar May 28 '24 22:05 bananenpampe