GROMACS version: 2023.1
GROMACS modification: No
Hello everyone,
I updated my GROMACS to 2023.1 today, but I found that the autocompletion for file path doesn’t work. (I had already source the GMXRC)
For example, if I type gmx trjconv -f traj and then hit TAB, it should autocomplete as gmx trjconv -f trajectory.xtc. However, nothing happened after I hit TAB. It works in the previous version (2023).
The only difference between the way I installed them is that the previous version has the MPI support. But I don’t think this is the reason for this problem. Does anyone know how to fix the autocompletion for zsh? Because everything works in bash, I believe there may be something related to the zsh configuration.
The ver. 2023 cannot autocomplete the command like covar, editconf, anaeig, etc., which doesn’t bring too much trouble. Now I can’t use filepath autocompletion but the command autocompletion works.😂 I really need some help.
Hi!
There are no changes to either bash or zsh scripts between 2023 and 2023.1. And besides, zsh autocomplete script loads the same file as bash.
I suspect it might be related to the fact that your previous installation had MPI support and thus installed autocompletion for the gmx_mpi binary, but the new version (with gmx binary) somehow did not get properly installed, and your still have the scripts for gmx_mpi, while it should be gmx.
Could you please look through the GMXRC files you’re sourcing in both cases, and the gmx-completion.bash loaded from them, to check whether they all look consistent and sane?
Thank you for getting back to me!
I noticed that in version 2023, there doesn’t seem to be a gmx-completion.bash file in the $GMXBIN folder. This might be the reason why the command auto-completion is not functioning. The ver. 2023.1 does include this file in its $GMXBIN directory. Strangely enough, I have never made any edits to this file. I’m wondering if you have any insights into this particular situation.
I appreciate your assistance and look forward to your response!
Best regards.