Work towards MDAKit integration

[hmacdope]

Now that MDAKits are live to roll we should work towards registering solvation-analysis as an MDAKit!

See the blog post for more info.

@orionarcher I would be interested to know if you would prefer to just go for it or wait for 0.2.0 (and some conda packages).

AFAIK solvation-analysis already meets all the requirements listed in the white paper.

[hmacdope]

Ok no rush, registry not here yet.

[orionarcher]

I'd say let's hold off for version 0.2.0, I want to prioritize that before registering.

[orbeckst]

@orionarcher Can you register the kit before the UGM at the end of September? It would make for a nice show case and would really help us to demonstrate the MDAKits ecosystem.

The process is not difficult: https://mdakits.mdanalysis.org/add.html (and there's a longer version in the making an mdakit tutorial.

[orionarcher]

Yep no problem! Thanks for the links.

[orionarcher]

PR open here: MDAnalysis/MDAKits#67, let me know how it looks!

[orbeckst]

Any chance you could look at #93 ? Or at least pin your conda recipe and make increment your build number and update your source deps

solvation-analysis/pyproject.toml

Line 32 in 055cbd9

'pandas',

?