Installation of PySCF - OSError

Hello

I have a problem with the installation of pyscf. I have used pyscf for some time now, and this is the first time I encounter this problem with the installation. My suspicion is that the error came after I upgraded my Mac to Ventura 13.0.

I installed pyscf in my conda environment as pip install pyscf. When I type import pyscf in Python, I receive the error message shown in the attached picture import_pyscf. The error seems to be explained in https://pyscf.org/install.html under OSError …, where it says the error is caused by the incorrect RPATH. To solve the problem, I should cd pyscf/lib and run sh _runme_to_fix_dylib_osx10.11.sh. The problem is I don’t have the _runme_to_fix_dylib_osx10.11.sh file in pyscf/lib? I have attached a picture pyscf_lib showing all the files in the pyscf/lib folder.

I appreciate the help

Best Phillip

[jamesETsmith]

@pwkj glad that worked! I’m sorry we weren’t able to fix your original problem, but I’m glad we got things working

[pwkj]

@jamesETsmith now it works using the pip install git+https://github.com/pyscf/pyscf! I really appreciate the help James. Why pip install pyscf is not working for me is still an unsolved problem, but for now I can run pyscf which is the most important.