search

cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding
GNU General Public License v3.0
2 stars 5 forks source link

Streamline container size #37

Closed jennyfothergill closed 3 years ago

jennyfothergill commented 3 years ago

Do not merge until https://github.com/openmm/openmm/issues/3059 is resolved, but I will update with fix found there EDIT: temporary(?) fix

chrisjonesBSU commented 3 years ago

Will the remove --force fix be good enough for our purposes?

jennyfothergill commented 3 years ago

hmmm... force removing could break our installation. I think waiting until the openmm devs decide on a fix is best. Hopefully they drop the cudatoolkit requirement. :)

jaimergp commented 3 years ago

If it's only for a container, conda remove --force cudatoolkit should not cause too many troubles. The environment will be deemed "inconsistent" by conda and it will try to fix it, but if you don't try to update anything else, it should work as long as there's a CUDA toolkit somewhere in the image. Worth a try, in my opinion!

jennyfothergill commented 3 years ago

This solution may be the best:

For permanent effects, you could change the default channels list in your ~/.condarc so the conda-forge/label/nocuda channel sits above the normal conda-forge.

Originally posted by @jaimergp in https://github.com/openmm/openmm/issues/3059#issuecomment-876556363

jaimergp commented 3 years ago

I'd add that the nocuda channel does not exist yet and is still hypothetical!

jennyfothergill commented 3 years ago

OH. That's an important distinction I missed.

jaimergp commented 3 years ago

Check this comment ;)

https://github.com/openmm/openmm/issues/3059#issuecomment-891653746