Looking at the output from cmake, I see that it finds libint.dy and some other libraries in my anaconda3 installation. So maybe it is not all built from scratch, and maybe the culprit is here?
I have now upgraded to the last xcode version, I am trying to remove the libraries in anaconda3, and recompiling. I will report by editing this post.
EDIT: So I managed to suscessfully build Psi4, and I think I have found the culprit for the “Illegal Instruction: 4” error in my case. By editing CMakeLists.txt, I tried first to exclude Libint detection, but the error persisted. However, when I excluded Libxc, it worked! Libxc was originally detected in the anaconda3 installation.
Psi4 now runs and successfully does calculations for me.
By the way, the CMakeLists.txt has a typo. Line 46 reads
# For any ${AddOn} of: ambit, CheMPS2, dkh, libefp, erd, gdma, Libint, PCMSolver, pybind11, simint, LibXC
but should probably read
# For any ${AddOn} of: ambit, CheMPS2, dkh, libefp, erd, gdma, Libint, PCMSolver, pybind11, simint, Libxc
EDIT 2: For what it’s worth:
$ conda list | grep libxc
libxc 3.0.0 3 psi4