Since density-fitting is the default, it would make sense to compile libint to support it, not just for energies of the lighter elements, but for energies, gradients, and second derivatives across the entire periodic table.
Running a default gradient calculation on a metal-containing molecule produces the following error:
Basis Set: (6-31G* AUX)
Blend: CC-PVDZ-JKFIT + DEF2-QZVPP-JKFIT
Number of shells: 106
Number of basis function: 539
Number of Cartesian functions: 539
Spherical Harmonics?: false
Max angular momentum: 6
ERROR: ERI - Libint cannot handle angular momentum this high (6) for first derivatives.
Rebuild Libint with MAX_AM_ERI at least 7.
Is there some risk or other to compiling libint with a higher value of MAX_AM_ERI for the official releases? If not, I’d like to request that the official releases of psi4 have full support in libint for DF gradients and second derivatives for all supported elements.