Most important change is that I unpinned two dependencies. I reinstalled schnetpack in a fresh environment with this change and did not experience any difficulty. Unfortunately it was not reported why these dependencies were pinned and it is possible that for some use-cases there may still be problems.
Other than that, I removed the travis.yml file, which is not needed anymore because CI on Travis is not done anymore, and MANIFEST.in which doesn't seem to be necessary since the switch to pyproject.yaml.
Also some whitespace removal and test readme update.
Most important change is that I unpinned two dependencies. I reinstalled schnetpack in a fresh environment with this change and did not experience any difficulty. Unfortunately it was not reported why these dependencies were pinned and it is possible that for some use-cases there may still be problems.
Other than that, I removed the
travis.ymlfile, which is not needed anymore because CI on Travis is not done anymore, andMANIFEST.inwhich doesn't seem to be necessary since the switch topyproject.yaml.Also some whitespace removal and test readme update.