psi4 1.9.1 is currently incompatible with main version of libint (2.9.0)

[Andrew-S-Rosen]

On the install page, for Linux > Conda > 3.11 > Stable, it returns

conda install psi4 python=3.11 -c conda-forge 

Should it not be using the conda-forge/label/libint_dev?

I should note that libint main just updated 12 hrs ago and seems to cause some seg faults in psi4 1.91.

[loriab]

Thanks for the ping. The install page cmdline is actually correct. Since late December Psi4 has been able to use upstream -c conda-forge libint, and there's no longer any need for -c conda-forge/label/libint_dev. The latest Psi4 v1.9.1 from February on c-f uses the main-channel libint and updated the install page cmdlines.

You're quite right that the psi4 conda package is segfaulting at present. The new L2 main release is built with higher AM, and I forgot that those weren't hot-swappable. The new L2-v2.9.0-linked Psi4 v1.9.1 c-f packages are building now, and will be available w/i a couple hours. Or you can conda install psi4 libint=2.8.2 python=3.11 -c conda-forge now, and that should run fine.

Sorry for the trouble.

[Andrew-S-Rosen]

Thanks, just wanted to confirm! I switched to libint==2.8.2 in the meantime but look forward to a new release 👍 Feel free to close when you see fit. I'll update the title.

[loriab]

All the new packages are available. No further problems are anticipated, so lmk if there's further trouble. I'll leave this open for a few days for information.

[j-wags]

Just reporting that updating to the latest 1.9.1 package shows all green for me :-)

[JonathonMisiewicz]

Seeing as there have been no further troubles, closing.