I recently had to reinstall the package on a fresh WSL install and ran into a few snafus that should be fixed or mentioned in the instructions:

• The header of installing pytorch (below dssp) disappeared (I believe this is solved in docs: add tutorials for PPIs #434)
• sudo apt-get install dssp could give an error "E: Unable to locate package dssp"
  • solve by first running sudo apt-get update
• python -c "import torch; print(torch.version.cuda)" could return "None", in which case "cpu" should be used.
• if gcc isn't installed, there will be an error when pip installing the package itself. This can be addressed as follows:
  1. test whether gcc is installed: if gcc --version does not give an error: you're good
  2. if there is an error, run: sudo apt-get install gcc before pip installing
• it would be nice if there were a test command or something that people could run to ensure that installation works as intended.
  • perhaps by running the integration tests?
• In the editable install instructions, maybe it would be nice to list the extras packages for testing, etc?
  • Can we collapse all of the extras into a single option (dev?) and/or get rid of the ones we don't need anymore?

Maybe this can be resolved together with #450