I did what I could to remove the last versions of conda and psi4 I had: deleted the my psi4 directory as well as ~/.zshrc and the psi4 stuff in ~/.zprofile, and restarted the shell. Is there anywhere else I should check? If there is still some hanging around, it could have been where my problems came from.
I installed miniconda, and that seemed to go fine, but when I ran conda install psi4=1.4rc1 psi4-rt=1.4.dev30 python=3.9 -c psi4/label/dev , conda gave a lot of errors.
I’ve added the full out put as an attachment, but here are the highlights:
Collecting package metadata (current_repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: |
Found conflicts! Looking for incompatible packages.
This can take several minutes. Press CTRL-C to abort.
failed
UnsatisfiableError: The following specifications were found to be incompatible with a past
explicit spec that is not an explicit spec in this operation (python):
- psi4-rt=1.4.dev30 -> fockci[version='>=0.2.0,<0.3.0a0'] -> python[version='>=2.7,<2.8.0a0|>=3.6|>=3.5,<3.6.0a0']
- psi4-rt=1.4.dev30 -> python[version='>=3.6,<3.7.0a0|>=3.7,<3.8.0a0|>=3.8,<3.9.0a0|>=3.9,<3.10.0a0']
- psi4=1.4rc1 -> mkl-service[version='>=2,<3.0a0'] -> python[version='>=2.7,<2.8.0a0|>=3.6|>=3.5|>=3.5,<3.6.0a0|>=3.6.0']
- psi4=1.4rc1 -> python[version='>=3.6,<3.7.0a0|>=3.7,<3.8.0a0|>=3.8,<3.9.0a0|>=3.9,<3.10.0a0']
- python=3.9
The following specifications were found to be incompatible with each other:
Output in format: Requested package -> Available versions
After that there are a lot of package conflicts, and:
% psi4 --test
zsh: command not found: psi4
psiinstalloutput.txt (42.4 KB)
I don’t really know anything about conda, any suggestions for how to fix this are welcome, thanks!