poetry_steps.txt

Step 1: poetry install
# module load anaconda/3.9
# module load python/3.9
which python
poetry env use /pkgs/python-3.9.10/bin/python
poetry install

Step 2: reinstall torch_geometric
# In ipython, see if you can import torch_geometric. If seg dump, uninstall and reinstall
pip uninstall torch_geometric
pip install torch_geometric==2.0.4
pip install --no-index pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-1.13.0+cu117.html
# Use this line to build from source, but will likely take a while
# pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-1.13.0+cu117.html

Step 3: install rest of the packages
pip install openbabel-wheel
pip install fsspec 
pip install rdkit
pip install pytorch-lightning yacs
pip install performer-pytorch
pip install tensorboardX
pip install ogb
pip install wandb

Step 4: install Mamba
# module load cuda-11.8
pip install causal-conv1d==1.0.2
pip install mamba-ssm