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atomistic-machine-learning / schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems
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Conda installation problem #570

Closed lizsalmon closed 11 months ago

lizsalmon commented 1 year ago

We have an issue with installing Schnetpack on anaconda.

The commands we used (both have same error): conda install -c "conda-forge/label/cf202003" schnetpack conda install -c conda-forge schnetpack

Output: UnsatisfiableError: The following specifications were found to be incompatible with each other:

Output in format: Requested package -> Available versions

Is there a command that we should be using instead? Thank you.

stefaanhessmann commented 1 year ago

Hey @lizsalmon , I am sure why it does not work with conda-forge. We will look into this. We usually recommend to just use pip install schnetpack. Is there a reason why pip does not work out for you?

lizsalmon commented 1 year ago

I'm not sure whether it is the installation but when installed using pip I can't run any of the schnetpack tutorials without errors.

stefaanhessmann commented 1 year ago

This should not be the case! Could you maybe provide some more detailed information? Preferably the traceback of your errors. Maybe I can spot what is going on