installing via environment-dev throws error

cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding

GNU General Public License v3.0

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installing via environment-dev throws error #33

Closed jennyfothergill closed 3 years ago

jennyfothergill commented 3 years ago

We need to add hoomd, I think 2.9.4 is best because it fixes a thrust issue with installation on gpu Also gsd

chrisjonesBSU commented 3 years ago

Well, the installation instructions list the hoomd install as a separate step. I'm not sure if any issues would come up with hoomd being installed via anaconda, but then wanting to use a compiled hoomd when submitting jobs on Fry. Until there is a GPU image for ULI, I don't know if putting hoomd in the .yml file is a good idea.

jennyfothergill commented 3 years ago

Ah! OK, that makes sense. I gotta read those instruction better huh 😅

chrisjonesBSU commented 3 years ago

I think was fixed with the addition of the -nohoomd yml file.

jennyfothergill commented 3 years ago

yeah, oops! I meant to close this in my container pr