Bug in cleanup_moltemplate.sh

[PhnRvTjN]

This is line 226 of the script: if ! "${PY_SCR_DIR}/scripts/moltemplate.sh" "${BASE_NAME}.lt" \

The correct line should have been: if ! "${PY_SCR_DIR}/moltemplate.sh" "${BASE_NAME}.lt" \

[jewettaij]

HI Phani Thank you very much for reporting this bug. And thank you for finding a solution! I didn't follow up on issue #86 because from the description of that bug, I thought it was something specific to FreeBSD. (Regrettably, I am too busy to support FreeBSD users). It's strange that this used to work before. <-- Nevermind. I see what I did which caused this to happen. This was a bug that I introduced in 2022-12-03.

Thank you very much for catching this bug!

-Andrew

[jewettaij]

If you would like to be listed as one of the contributors to moltemplate, then feel free to create a "pull-request" with a change to cleanup_moltemplate.sh.

Don't feel pressured to do this if you're busy. But it's a nice way for me to keep track of who contributed to moltemplate.

I will update moltemplate tonight. So if you want to make a pull request, I suggest that you just make some trivial change to "cleanup_moltemplate.sh", and post a pull request. (For example, add a blank line to the end of the file.) I will approve the pull-request post a comment in your pull request explaining that you deserve for the commit that fixed issue #88.) I'll also mention this elsewhere too.

[jewettaij]

I posted your fix in the latest release (v2.20.19).

Thank you very much again!

[PhnRvTjN]

Hello Andrew,

Thanks for the credit. I love the convenience that moltemplate offers for simulating polymers in LAMMPS and I use it regularly. Thanks for your effort.

Regards, Phani