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Updating RMG-Py

Open kirkbadger18 opened this issue 1 year ago • 4 comments

Updating RMG-Py

When updating RMG-Py, should we also be recompiling the code with the "make" command, and also should we be updating the rmg conda environment from the updated .yaml file? If so could we add these steps to the website to make this more clear?

kirkbadger18 avatar Mar 06 '24 23:03 kirkbadger18

Hi @kirkbadger18! Thanks for using RMG.

If you are using RMG from a docker image, you can just pull the latest image and run it in a separate container.

If you have installed from source, it depends.

  • If you update RMG-Py and we have changed any of the Cython files, you would need to run make clean and make again to incorporate the new changes.
  • If we have removed dependencies from the environment file (which is somewhat rare), you would be best served to re-build the entire environment. If we have only updated package versions then you can probably safely just update your existing environment.

Since it can be difficult to tell when changes have been made to Cython/the envrionment when pulling down a ton of changes, it may be best to always go through a quick environment + RMG rebuild if you haven't pulled in a while.

I agree that our docs are not thorough enough about this - this is the best we have right now. Adding to the todo list.

JacksonBurns avatar Mar 06 '24 23:03 JacksonBurns

Can RMG-Py be updated by using Anaconda?

oroppas avatar Mar 08 '24 00:03 oroppas

Can RMG-Py be updated by using Anaconda?

Unfortunately not. We have moved our primary distribution method to Docker, and the added difficulty of building conda packages means that we have not been keeping them up.

There are some ongoing efforts in #2539 but they are not yet ready for general use. We will provide and update if anything changes, but the best option now is to use Docker.

JacksonBurns avatar Mar 08 '24 14:03 JacksonBurns

Got it. Thanks!

oroppas avatar Mar 10 '24 01:03 oroppas

This issue is being automatically marked as stale because it has not received any interaction in the last 90 days. Please leave a comment if this is still a relevant issue, otherwise it will automatically be closed in 30 days.

github-actions[bot] avatar Jun 08 '24 08:06 github-actions[bot]

Closing this as resolved rather than stale.

JacksonBurns avatar Jun 09 '24 02:06 JacksonBurns