geoelements / gns

Graph Network Simulator
https://www.geoelements.org/gns/
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Missing installation instructions for non-TACC users #34

Closed WPettersson closed 1 year ago

WPettersson commented 1 year ago

Your README file includes details on how to install/use gns on TACC, but doesn't have information for people who won't be using TACC. It might be very hard to write a singular script to handle all cases, but it would be good to at least have a list of required packages (preferably with a link on where to find them) and compatible version numbers. For instance, the build_venv.sh file pulls in cuda 11.3 - will other versions work? It's okay to say "we don't know" if you don't know, but it's helpful to also point out that it is meant to work with 11.3.

kks32 commented 1 year ago

Thanks @WPettersson. PyTorch Geometric and CUDA have only specific compatibilites as shown here https://pytorch-geometric.readthedocs.io/en/latest/notes/installation.html#quick-start

image

We could add a similar table in the README to help users with installation on GPU machines.

WPettersson commented 1 year ago

An even easier solution would be to simply link to those instructions with a sentence like "GNS uses pytorch geometric and CUDA. These packages have specific requirements, please see insert_link_here for details on installing pytorch-geometric."

It's up to you exactly how you phrase it, but I would give links for installing pytorch, as well as pytorch-{geometric,sparse,scatter,cluster} as these do have specific CUDA requirements (mostly, matching pytorch versions and cuda versions). You can then follow this with a sentence like "After installing the above, the remaining requirements can be installed with pip install -r requirements.txt".

osorensen commented 1 year ago

Nice to see that you opened issues here @WPettersson. I just add a link to the review here so we keep track: https://github.com/openjournals/joss-reviews/issues/5025