Please update this issue with what you find. Select the python3 kernel (which should produce a sys.executable result reflective of the p4env.Start the notebook server in the p4env then.Ensure that psi4 is installed in the p4env (be sure to activate that environment using conda activate p4env if you haven't already).If you don't find such a file, I suggest: If such a file exists, rename the file and restart the notebook's kernel (or restart the server to be sure). In this case, I would look for a file named psi4.py in the same directory in which you started the notebook server (i.e., in which you ran jupyter notebook) or one located on your PYTHONPATH. Successful imports with none or missing attributes typically implies a collision with an external file named like the package.In which of these environments did you run the jupyter notebook command?.In which of these environments is the psi4 package installed?.Line magics operate on a single line of a code cell. This will output a list of the available line magics and cell magics, and it will also tell you whether 'automagic' is turned on. Your output implies at least two conda environments - a base environment as reflected in your first print(sys.executable) output - and an environment named p4env as reflected in the second kernelspec listed. A good first step is to open a Jupyter Notebook, type lsmagic into a cell, and run the cell.That doesn't really provide a good data point for what's going on. Disregard the output from running jupyter kernelspec list from within your notebook (i.e., kernel).Hi - your post raises several questions about your environment, but let's focus on the following.
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