Release 0.15.0

[mikemhenry]

Forgot that we keep the changelog in the README.md for this package. Once this gets merged in, I will create the release on Github and then cut the conda-forge release.

Resolves #395

[epretti]

I don't know if it's worth mentioning that #391 removed the residue_atoms argument to generate_residue_template() of template generators. This is effectively a change to the API, but just to remove something that was either never implemented in the first place or broken (see #379). I'll let you decide whether or not it's worth bringing up here. Otherwise, looks good!

[mikemhenry]

I think that is worth highlighting here, I will add that, thanks for the reminder!

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.14%. Comparing base (0496840) to head (4b8dbf1).
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Additional details and impacted files

@@           Coverage Diff           @@
##             main     #401   +/-   ##
=======================================
  Coverage   84.14%   84.14%           
=======================================
  Files           5        5           
  Lines         776      776           
=======================================
  Hits          653      653           
  Misses        123      123           

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[mattwthompson]

I looked through the diff and found these which might not be listed here, not sure since I don't 100% understand the code

#369
#357
#389
#386
#375
#371

openmm:e6e6248...openmm:0496840

[epretti]

For the ones I was involved with:

• Can not use OPC/3 water with ff14SB #357 was an Amber-related bug (residue template name collision between force fields) that was fixed when the force fields were updated
• Fixes and improvements for CHARMM force fields #386 fixed some problems with the new CHARMM force fields that were added in Update CHARMM force field to July 2024 release #356
• Remove duplicate atom type handling and re-enable GAFF tests #371 removed a problematic workaround for an edge case in the GAFF template generator that was only needed to support OpenMM < 8.1.2.

I don't know about the others. I am fine not listing every change and fix made in the README as long as the linked release notes will have the full changelog, but I'm also fine if you prefer more detail added in the README.

[mikemhenry]

I lost the message I was going to post here but the tl;dr is I will link to the in depth changes on github, I use the autogenerate change log tool on the releases page and did a skim to see what changes users might care about. Looking at other releases and change log entries in the past, I think that is how we do it for this repo.

[mattwthompson]

Sounds good to me