General updates | JW – I’ll become approver on interchange regression project JW will notify stakeholders that he’s taking over as approver MT – Basically everything was passing a few weeks ago except vsites. Since nothing has changed with vsites that should still be the case. So I do anticipate needing to make some changes once the vsite PR gets cherry-picked into the 0.11.0 candidate branch. JW will review vsites PR and inform MT once it’s approved so MT can begin building interchange equivalence.
JW – Check Interchange WBS - Correctly prioritized? Anything missing? https://docs.google.com/presentation/d/1pgkQ1zuJ6Kl_7Km0tam96nyzMhFJIkPxPuQiV4P7Qis/edit#slide=id.g11fb93507bf_2_163 JW – 0.11 pre-alpha updates/wishlist MT – pip MT – Lots of people don’t like conda. For a long time the discussion around getting our stuff on pip is that openmm isn’t there. But now that we might be able to have an openmm-free toolkit, it may be possible to make our stack pip-installable. So I won’t do this unless it’s identified as important, but we could make a non-openmm-and-ambertools release if this is something people want. Also, there’s an option to build conda-forge packages straight from pypi releases, which is actually recommended. JW – The conda-forge recommendation is a nice plus, but I don’t think that it would overall be worth it.
MT – Vanderbilt - We don’t have any meetings on the calendar
|