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Deprecation of AutoMBAR #284

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xiki-tempula opened this issue Dec 9, 2022 · 2 comments · Fixed by #285
Closed

Deprecation of AutoMBAR #284

xiki-tempula opened this issue Dec 9, 2022 · 2 comments · Fixed by #285
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1.0.1

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@xiki-tempula
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xiki-tempula commented Dec 9, 2022 •
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for pymbar 4, MBAR(method='robust') will give the same iterative solver as the current autombar, so autombar should be Deprecate in alchemlyb2 where we introduce pymbar 4.
@orbeckst orbeckst linked a pull request Dec 9, 2022 that will close this issue
Fix #284 #285
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@orbeckst orbeckst added this to the 1.0.1 milestone Dec 9, 2022
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orbeckst commented Dec 9, 2022

ok, we'll add it to 1.0.1 #279

@orbeckst orbeckst mentioned this issue Dec 9, 2022
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orbeckst commented Dec 9, 2022

Actually, let's just remove AutoMBAR from alchemlyb 2.0.

We keep in 1.x but it's not needed for 2.0.

orbeckst pushed a commit that referenced this issue Dec 10, 2022
@xiki-tempula
deprecate AutoMBAR (PR #285)
a893769 
- fix #284
- Deprecate AutoMBAR (for removal in 2.0.0)
- test DeprecationWarning
- silence this warning otherwise
- update docs
- update CHANGES
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Fix #284 xiki-tempula/alchemlyb
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