Installation on Mac OS Silico: s-dftd3 not registered

build
1

Hello there:
I successfully installed psi4 1.8.0 and installed also some interfaces successfully.
However, the installation of s-dft3 is not successful.

I downloaded it via
conda install simple-dftd3 -c conda-forge .
I confirmed that s-dft3 is in the psi4/bin dir.
I set the PYTHONPATH variable.

qcengine info
does not show s-dft3 and
python -c "import qcengine as qcng; qcng.get_program('s-dft3')"
shows:
Program s-dft3 is not registered to QCEngine.

What am I missing here?
Thank you very much in advance,
Best regards,
Markus

2

I imagine you need to follow the instructions here.

3

Concur, you need the python interface. psi4/Linux-buildrun-maxeco.yaml at master · psi4/psi4 · GitHub is a handy reference to what packages from conda-forge coordinate with psi4.