I installed PSI 4 rev. 1.1 and tried to run a ccsd calculation on Ne atom with a cc-pV7Z basis set. Of course I got the dreaded "Libint max angular momentum error".
I did try
conda install am7 -c psi4
and verified this installs the newly downloaded libint library in the library folder, but I still get the error. Then I tried
conda install am8 -c psi4
and still no luck. I tried stripping the K functions and noticed the calculation still crashes --- but when I revert to the original libint that calculation ran to completion.
Does this mean updating libint requires recompilation of everything else? It's not a "dropin" replacement?
many thanks in advance,
PS: I did try building from source, but the antediluvian toolchain on our faculty HPC cluster (which runs Red Hat Enterprise Linux 6.6, with Intel compilers and MKL) apparently doesn't agree with the cmake script.