From 47e04df1e9d6c29d9a19277560fb6b8e173e2de3 Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Tue, 16 Apr 2024 15:38:08 -0500 Subject: [PATCH] DOC: Finalize 0.3.26 release notes --- docs/releasehistory.md | 23 +++++++++++++++++------ 1 file changed, 17 insertions(+), 6 deletions(-) diff --git a/docs/releasehistory.md b/docs/releasehistory.md index 9704176f5..e63710931 100644 --- a/docs/releasehistory.md +++ b/docs/releasehistory.md @@ -11,7 +11,18 @@ Dates are given in YYYY-MM-DD format. Please note that all releases prior to a version 1.0.0 are considered pre-releases and many API changes will come before a stable release. -## 0.3.23 - 2024-03-07 +## 0.3.26 - 2024-04-16 + +* #952 Drops support for Python 3.9. +* #853 Better support LJPME in some GROMACS tests. +* #954 Fixes a broken link in plugin documentation. +* #963 Removes pre-set partial charges from host-guest example. +* #956 Adds another helper function for solvation in non-aqueous solvent. +* #946 Adds support for GROMACS's `3fad` virtual sites. +* #918 Improves storage of cosmetic attributes. +* #880 Improves virtual site example notebook. + +## 0.3.25 - 2024-03-29 * #947 Fixes a bug in which virtual site parameters with identical SMIRKS would clash. * #948 Updates the GAFF example. @@ -51,8 +62,8 @@ Please note that all releases prior to a version 1.0.0 are considered pre-releas ## 0.3.20 - 2024-02-12 -* #891 Adds support for hydrogen mass repartitioning (HMR) in GROMACS export. Note that this implementaiton never modifies masses in waters and requires the system contains no virtual sites. -* #887 Adds support for hydrogen mass repartitioning (HMR) in OpenMM export. Note that this implementaiton never modifies masses in waters and requires the system contains no virtual sites. +* #891 Adds support for hydrogen mass repartitioning (HMR) in GROMACS export. Note that this implementation never modifies masses in waters and requires the system contains no virtual sites. +* #887 Adds support for hydrogen mass repartitioning (HMR) in OpenMM export. Note that this implementation never modifies masses in waters and requires the system contains no virtual sites. ### 0.3.19 - 2024-02-05 @@ -497,14 +508,14 @@ This release supports Python 3.8 and 3.9; it may be compatible with older and ne ### Breaking changes -* #357 The `_OFFBioTop` constructor now requires an `mdtraj.Topology` passed through the `mdtop` argumment. +* #357 The `_OFFBioTop` constructor now requires an `mdtraj.Topology` passed through the `mdtop` argument. * #363 This project is no longer tested on Python 3.7 ### Bugfixes * #351 Fix setting byte order while processing bytes to NumPy arrays * #354 Fix positions processing in `Interchange.__add__` -* `e176033` Fixes nonbonded energies not being parsed while reporting energies from the OpenMM drver. +* `e176033` Fixes non-bonded energies not being parsed while reporting energies from the OpenMM driver. ## 0.1.3 - 2021-11-12 @@ -579,7 +590,7 @@ This pre-release of the OpenFF Interchange adds preliminary support for virtual ### Testing and reliability improvements -* #269 OpenEye toolkits are now used in automated testing by default. +* #269 OpenEye Toolkits are now used in automated testing by default. * #281 Refactors the test suite into unit tests, interoperability tests, and energy comparison tests. * #289 Improves the Amber energy driver. * #292 Improves some ParmEd conversions.