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choderalab / pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)
http://pymbar.readthedocs.io
MIT License
237 stars 92 forks source link

linux-aarch64 conda support? #474

Open jmichel80 opened 2 years ago

jmichel80 commented 2 years ago

Dear pymbar developers,

Is there a plan to support linux-aarch64 packages on conda-forge for pymbar (preferably <4) ?

Best wishes,

Julien

mrshirts commented 2 years ago

@Lnaden , you know this stuff better than me. Though I would encourage trying to go to version 4 - there's a lot of robustness/features added!

xiki-tempula commented 1 year ago

@mrshirts I wonder if there is any plan for pymbar>=4 to support Linux/aarch64 and osx-arm64? Given that we now have pymbar-core, which shall be able to live happily in these two archs.

mrshirts commented 1 year ago

So, I don't think we will be supporting pymbar < 4. The goal is to shift to 4>= so that we are not maintaining old functionality. @jmichel80, if there are issues with pymbar 4 that make it difficult to use, let us know so we can try to address them. In terms of the architecture; I'm not sure of the issues on the installation. Presumably the non-jit version should be fine on whatever architecture?

xiki-tempula commented 1 year ago

Sorry, my fault. I noticed now that both pymbar and pymbar-core do support Linux/aarch64.