Ondrej Marsalek

Yes, something like that, with no frequency specified. I still think that Sphinx is the best solution for documentation, both written and automatically generated (input file and the code itself)....

Thanks for the input. To clarify, I don't have any reason to push this too much, I just thought it would be more user-friendly to use a format that is...

For what it's worth, Desmond uses JSON, for example.

That would certainly be useful and will make the working tree slimmer, but the trickier part is removing it and other large deleted files from the repository. Because this means...

I just tried using this tool: https://rtyley.github.io/bfg-repo-cleaner/ and it seems to work great. After filtering all files larger than 1 M (the specifics can be tweaked for the production run,...

It requires some coordination, but unless we plan to turn it into a weekly activity, I think it is worth it. Best way to ensure that it is rare is...

To be honest, I am not a fan of that path injection even in the main program - it should simply never be needed. You source the `env.sh` (think `GMXRC`...

BTW, Github technical tip - you can quote a code block without having the formatting messed up using triple backticks. If you add the name of language, you even get...

OK, I see what you mean. This is relevant also to the situation after release, of course. For some reason, I was certain that the instruction to source `env.sh` was...

Note that as the executables are simple Python programs, they can be simply copied elsewhere (say, when modifying them), but will "magically" stop working if the `ipi` package is made...