I have used Psi4 for years in teaching my quantum chemistry classes at U.C. Davis, but today on a machine recently upgraded to Mac OS Sequoia, I have been unable to reinstall it.
With the current distribution of anaconda ( 2024.10 with python 3.12), the conda install command with or without a -c psi4 doesn’t find a solution:
conda install psi4 python=3.12 -c conda-forge
When I try to access the istalller with the curl command on the Psi4 website I get:
You don’t have permission to access /psicode-download/Psi4conda-1.9.1-py312-MacOSX-x86_64.sh on this server.
Regardless of how or from where I do it.
I hate to bother everyone with this basic question, but I’m dead in the water on this reinstall. Any ideas of what embarrassingly simple mistake I’ve made?
Hi, Thanks for the report. On the curl command, I can confirm I get it, too, and I’m unable to log into the machine. Will investigate.
On the conda install command, conda create -n p4test23dec psi4 python=3.12 -c conda-forge just solved for me on linux, mac (Intel), and mac (Silicon). So maybe there’s an incompatibility in the main anaconda env that has a lot of preinstalled packages. You might try creating a named environment just for Psi4, like above, and see if that will solve for you. (last two sentences edited for clarity.)
Hopefully the conda install can get you unblocked. Please let me know if it doesn’t.
Did the trick and I tested the psi4 distribution to verify that it’s intact.
My spring graduate Quantum Chemistry class has about 10 students in it, and we use Psi4 with each of them installing it on their own laptops for about half of the assignments in the class. For the ones with Macs, I’ll recommend this path for them to install it.
Whew, glad to hear that install route is working for you. I’ve learned that the server hosting the psi4 installers is indeed down until at least mid-January. Thanks again for the report so I can post warnings. Please let me know if anything else goes awry.