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Update imports and tests for OpenMM 7.6 #173
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…ts for OpenMM 7.6; pin to >=7.6
@peastman: Tests will not pass and all released versions of
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This is blocked until conda-forge/parmed-feedstock#15 is merged and the ParmEd conda-forge packages are released. |
@peastman : Are new packages not deployed yet? I'm just getting
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@peastman : I'll let you sort out the OpenMM 7.6 issues from here. I have no idea what to do. |
I think it's happening because you aren't installing ParmEd directly. Instead you install ambertools and get ParmEd from it.
The constraint on OpenMM version was only added to the |
@peastman : I don't understand. Why wouldn't the constraint solver identify the correct combination of constraints that include the latest OpenMM (7.6.0) and the latest ParmEd compatible with it (3.4.3)? If this isn't happening, we haven't actually fixed the issue. There should be absolutely no need to specify parmed explicitly or an explicit parmed version unless things are still broken for everyone. |
It is indeed correctly installing parmed 3.4.3 now. We're just running into the bug introduced from merging #156 |
@peastman : Now that GLYCAM support has been merged and ParmEd has been updated, hopefully we can get this cleaned up, merged, and released to provide openmmforcefields support for OpenMM 7.6! |
This PR attempts to update all imports and test file paths for OpenMM 7.6, pinning to >=7.6.
Fixes #172