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mphowardlab / relentless

Computational materials design, with less code.
https://relentless.readthedocs.io
BSD 3-Clause "New" or "Revised" License
10 stars 1 forks source link

Support freud 3.x #238

Closed mphoward closed 8 months ago

mphoward commented 8 months ago

freud released a major version 3, and currently relentless forces a check to major version 2. We should check if there are any breaking changes related to the parts we use:

https://freud.readthedocs.io/en/latest/gettingstarted/migration.html

and support both ASAP.

clpetix commented 8 months ago

I'll look through the changes and update to support version 3 ASAP.

At a minimum we need to update: https://github.com/mphowardlab/relentless/blob/416348efb44320774e27b5f909e84ba5a05b947b/src/relentless/simulate/hoomd.py#L1567-L1568