From 6c6419f96878be3003673f68d2e34d70826191dc Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Fri, 15 Sep 2023 07:38:40 -0700 Subject: [PATCH] Change log for 0.10.3 release (#1236) * Change log for 0.10.3 release * Added feedback from review --- docs/changelog.rst | 39 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 39 insertions(+) diff --git a/docs/changelog.rst b/docs/changelog.rst index 0d1a91d18..89e7cadb9 100644 --- a/docs/changelog.rst +++ b/docs/changelog.rst @@ -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 `_. +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 ----------------