Page Comparison

...

•  Change topology-biopolymer-refactor to main
•  Update GH settings to make main default
•  Update PRs to topology-biopolyer-refactor to point to main
•  Change master to 0-10-x
•  Update PRs to master to point to 0-10-x
•  Make RC tag on openff-toolkit
•  Make RC tag on openff-interchange
•  

  Github link macro
  link https://github.com/openforcefield/openff-interchange/releases/tag/v0.2.0-alpha.6

•  Make openff-toolkit package on rc channel WITHOUT interchange
•  Update deps, but don’t add interchange
•  Remove create_openmm_system line in conda-forge builds
•  Make conda package
•  make openff-interchange package on rc channel
•  Update deps to pin to openff-toolkit 0.11.0rc1,
•  Update channel_sources to include conda-forge/label/openff-toolkit-rc
•  Make openff-toolkit package on rc channel WITH interchange
•  Add interchange to openff-toolkit-base recipe
•  Add openff-interchange to openff-toolkit deps, NOT openff-toolkit-base
•  Update channel_sources to include conda-forge/label/openff-interchange-rc
•  Re-enable create_openmm_system test
•  Update alpha notebook to use conda package (and anywhere else)
•  Make code changes
•  Make missing interchange error not imply that interchange is “Optional”
•  OE PDB → lots of stereochemistry warnings
•  OE atom indices in written PDB are all 0
•  OE bfactors are lost
•  OE standard residues shouldn’t have CONECT records
•  Insertion code handling
•  Fix from_polymer_pdb docstring (metadata goes into atom.metadata)
•  RDKit PDB writing misformats things somehow (run pre alpha notebook and try to visualize)
•  ensure_unique_atom_names ported to Interchange https://github.com/openforcefield/openff-interchange/pull/510/files
•  

  Github link macro
  link https://github.com/openforcefield/openff-toolkit/pull/1376

•  

  Github link macro
  link https://github.com/openforcefield/openff-toolkit/pull/1325

•  Check box on interchange regression testing
•  Docs updates
•  Mention that vsites are no longer at the end of topologies (in SB’s docs page)
•  Verify that examples are up to date
•  Verify they all run
•  Verify that at least one talks about new areas of APIs
•  Update Toolkit Showcase
•  Downstream packages ready
•  Downpin builds
•  OpenMMForceFields
•  Evaluator
•  ForceBalance
•  Fragmenter
•  QCSubmit
•  BespokeFit
•  Recharge
•  Code ready for new release
•  OpenMMForceFields

  Github link macro
  link https://github.com/openmm/openmmforcefields/pull/225

•  Evaluator
•  ForceBalance

  Github link macro
  link https://github.com/leeping/forcebalance/pull/259

•  BespokeFit
•  Run CI after release to see if it breaks
•  Fragmenter
•  QCSubmit
•  Recharge
•  
•  Make new tag for Toolkit and interchange if needed
•  Make new conda packages
•  Don’t strict-pin the other package
•  Announce RC period

...