Open mattwthompson opened 4 years ago
mattwthompson
commented
4 years ago Another idea would be to move it "up" one folder, so it's at root and not "inside" of mbuild. This could either keep them in the main repo or be set up as a git submodule that points here.
mattwthompson
commented
4 years ago (and 4.) After https://github.com/mosdef-hub/mbuild/pull/658, examples are no longer in the main repo, but the AZP build is not yet set up.
I will set this up after #2
I still think no
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I have a few topics I would like some input on:
I would like these examples removed from the main repo but it to still be tested with these examples in CI as a separate build in AZP. This would allow us to maintain some higher-level testing while removing some maintenance burden in the main repo.
I would also like these run independently as cron jobs, probably once daily.
Should this repo be distributed as a package? For testing purposes, I think we can just clone and run a script to execute all notebooks. I could see benefits to distributing it on pip and/or anaconda but it's not really a package/library/stand-alone software.
How aggressive can we be in removing examples from the main repo? I would like them out sooner than later, but maybe we should have a deprecation period.
Should these examples be distributed as scripts, notebooks, or both? My vote is for notebooks only. It looks like these were originally scripts but mirrored into notebooks a few years ago (https://github.com/mosdef-hub/mbuild/commit/bcd98acef5627c5bacb30e654426d588d9b45dc1)
Should we mirror this process in foyer? I see envision foyer examples to be comparatively light, and there is also some example-like documentation (https://github.com/mosdef-hub/forcefield_template, https://github.com/mosdef-hub/foyer_tutorials). The examples we currently have are pretty sparse (https://github.com/mosdef-hub/foyer/tree/90acba0d5ebb9df248eccf58b783d1e29bc6b57a/foyer/examples / https://github.com/mosdef-hub/foyer/tree/90acba0d5ebb9df248eccf58b783d1e29bc6b57a/examples)