fix: Pipelines, DevContainer, pyproject.toml, ...

[M-Lampert]

I have finished setting up the most important GitHub workflows. In detail I have:

• Removed all the unused pipeline that were left over from the Microsoft package template
• Set up one pipeline for testing and one for lining inspired by PyTorch Geometrics pipelines that should run for every pull request
• Set up a testing pipeline that can be triggered manually that tests every supported version
• Cleaned up the pyproject.toml and set up a minimum configuration for the used tools
• Cleaned up the Dev Container so that the used tools installed correctly and the dependencies are installed from pyproject.toml instead of in the dockerfile
• Fixed the vscode configurations to use all of the installed tools
• Cleaned up the pre-commit configuration to only use what seemed to be reasonable
• Added labels to the README.md that indicate if the current HEAD on main is passing linting and testing checks

There are still some open questions/problems on which I would like your feedback:

• Should we use poetry for dependency management? (see Cleanup pyproject.toml #28)
• We currently have dependabot set up but are not using it (.github/dependabot.yml)
  • For now I have removed the versions from all dependencies (except for the PyG dependencies)
  • I would suggest we set all dependencies to up to date stable versions once all tests are passing
  • Then either reactivate dependabot or remove it completely and do the versioning manually
• The tests are currently only running on CPU because the default GitHub runners do not provide GPUs (see Make GitHub tests work #29)
• I have set up two different tools for linting and static type checking each. I do not have a lot of experience with any of them so I am not sure if we need them all or should remove some of them.
• The linting pipeline currently fails but is set to ignore it for now. We should probably work on fixing all of the errors so that we can configure it to fail when something is found.
• I also removed all of the code that would upload the package to PyPI automatically because I don't think we are at a point where this needs to be automatic. But I have never actually uploaded a package there so please correct me if I am wrong.
• If you are using the dev container setup (and it actually works as configured), the black formatter and isort extension might make a lot of changes while saving a file. This could look a bit chaotic in PRs so we should consider running the formatters on all files and push it to main after this PR is merged.

[IngoScholtes]

merged PR