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Change log for 0.10.3 release #1236

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Sep 15, 2023
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Change log for 0.10.3 release #1236

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Change log for 0.10.3 release
mikemhenry Sep 15, 2023
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mikemhenry Sep 15, 2023
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39 changes: 39 additions & 0 deletions docs/changelog.rst
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Expand Up @@ -8,6 +8,45 @@ This section lists features and improvements of note in each release.

The full release history can be viewed `at the GitHub perses releases page <https://github.com/choderalab/perses/releases>`_.

0.10.3 - Release
----------------

Bugfix release.


Enhancements
^^^^^^^^^^^^

* Print perses version on startup by @mikemhenry in https://github.com/choderalab/perses/pull/1176
* Support pymbar 3 & 4 by @mikemhenry in https://github.com/choderalab/perses/pull/1173
* Store initial and final topologies for all phases -- small molecule pipeline by @ijpulidos in https://github.com/choderalab/perses/pull/1210

Documentation
^^^^^^^^^^^^^

* Added MPI example with dipeptide mutation by @ijpulidos in https://github.com/choderalab/perses/pull/1228
* Update comments in ``RESTCapableHybridTopologyFactory`` doc string by @zhang-ivy in https://github.com/choderalab/perses/pull/1189
* Clean examples -- CLI protein-ligand example for Tyk2 by @ijpulidos in https://github.com/choderalab/perses/pull/1223

Bug Fixes
^^^^^^^^^
* Fix spectator support by @ijpulidos in https://github.com/choderalab/perses/pull/1233
* Realtime analysis interval to default to checkpoint interval by @ijpulidos in https://github.com/choderalab/perses/pull/1227
* Correctly set cutoff for ``CustomNonbondedForce`` in ``HybridTopologyFactory`` when using a non-default cutoff distance. by @mikemhenry in
* Backport openfe fixes for context deletion by @mikemhenry in https://github.com/choderalab/perses/pull/1229

Testing/CI/Packaging
^^^^^^^^^^^^^^^^^^^^

* Run CI on new 0.10.x branch by @mikemhenry in https://github.com/choderalab/perses/pull/1212
* Use python executable from env by @mikemhenry in https://github.com/choderalab/perses/pull/1174
* Remove example testing by @mikemhenry in https://github.com/choderalab/perses/pull/1214
* CI miscellaneous fixes by @ijpulidos in https://github.com/choderalab/perses/pull/1217
* Improve docker building by @mikemhenry in https://github.com/choderalab/perses/pull/1200


**Full Changelog**: https://github.com/choderalab/perses/compare/0.10.2...0.10.3

0.10.2 - Release
----------------

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