Has anyone tried to move to a zsh on macOS and running Q-Chem on local machine? I decided to give a try but when I try to source a regular qcenv.sh file I receive:
/Users/local/qcenv.sh:21: = not found
I only modified the original qcenv.sh with specifying a $QC location and $QCSCRATCH.Dont really see what might cause this problem. I am running Q-Chem 5.2
Will appreciate any comments!
Q-Chem currently ships with qcenv.sh for bash and qcenv.csh for csh/tcsh. Other shells are not supported. However, since macOS now defaults to zsh, Q-Chem will include support for zsh in a future release.
Thank you! Looking forward to all upcoming upgrades. I tried to play around with script for zsh, but failed. Now I understand that it is more complicated than just setting up particular variables.