Chris Jones

> Ok I found a couple more cases that are unexpected. It's a little unclear what the accepted types and shapes of the `fix_orientation` arg are. It would be good...

It's probably a bit outdated; I should have time over the next couple weeks to take another look at it. Ultimately, I still think this feature should be added, but...

I agree that in the interest of usability that we keep some of the more applicable and useful packmol options as their own parameter in the individual packing functions. Such...

It's strange that the 3 numbers in the versions are the same; almost like it's a parsing or formatting error or something (I don't really know how conda does all...

I think the main thing left to do here is 1) decide if we want to make a list of allowed packmol arguments that can be used in `packmol_args` and...

I figured I could a look at this. It looks like `scripttest` and `netCDF4` aren't actually used anywhere? There's a [note](https://github.com/mdtraj/mdtraj/blob/43d8194bbc2e7f97a74b69fa02708bf17589529e/docs/whatsnew.rst?plain=1#L556) from 2014 about removing netCDF4 and using scipy's implementation...

I just now saw https://github.com/mdtraj/mdtraj/pull/1878 which adds `netCDF4` back. It seems like this could be installed by default as well.

Should this release add compatibility for MacOSX + python 3.12? From reading around the commits on the feedstock, It looks like the issue was related to the .tng code, which...

So, there is kind of a band-aid fix in here that I think is sort of related to #767, but when the forcefield uses wild cards, these carry over into...

This should be ready to merge, the only test failing is `test_charmm_improper_ff` which is unrelated to this PR.