From 6ff6b04d56a3b76fb18f7ba2317557d15cd41cb6 Mon Sep 17 00:00:00 2001
From: Lester Hedges <lester.hedges@gmail.com>
Date: Thu, 24 Mar 2022 12:21:47 +0000
Subject: [PATCH] Updates for the 2022.2.0 release.

---
 CHANGELOG              | 13 +++++++++++++
 corelib/CMakeLists.txt |  2 +-
 wrapper/CMakeLists.txt |  2 +-
 3 files changed, 15 insertions(+), 2 deletions(-)

diff --git a/CHANGELOG b/CHANGELOG
index f81f606c5..a69aee8db 100644
--- a/CHANGELOG
+++ b/CHANGELOG
@@ -3,6 +3,19 @@ SIRE changelog
 
 devel branch:
 
+    [2022.2.0] March 2022 - Fixed formatting of SOLVENT_POINTERS flag in
+               AmberPrm7 parser. Removed duplicate definition of sigma_av
+               in OpenMMFreEnergySt.cpp. Fixed SOMD issues related to
+               assumption that perturbable molecule always has MolIdx(1)
+               (@fjclark). Fixed wrappers and added significant performance
+               enhancements to the SireIO::updateCoordinatesAndVelocities
+               function. This significantly (200x) speeds up the remapping
+               of coordinates/velocities from SOMD trajectory frames, which
+               was a bottleneck for large protein-ligand simulations within
+               BioSimSpace. Disabled GSL error handling to avoid a potential
+               segmentation fault within a singular value decomposition
+               routine called by SireMaths::align.
+
     [2022.1.0] Jan 2022 - Fixed counting of protons to account for dummy atoms
                when swapping water topology and ensure that original molecular
                properties are preserved. Added a fallback to the BGFS solver
diff --git a/corelib/CMakeLists.txt b/corelib/CMakeLists.txt
index 0f973a854..648cc0092 100644
--- a/corelib/CMakeLists.txt
+++ b/corelib/CMakeLists.txt
@@ -7,7 +7,7 @@
 ################################
 
 set (S_VERSION_MAJOR "2022")
-set (S_VERSION_MINOR "1")
+set (S_VERSION_MINOR "2")
 set (S_VERSION_PATCH "0")
 
 set (SIRE_VERSION "${S_VERSION_MAJOR}.${S_VERSION_MINOR}.${S_VERSION_PATCH}")
diff --git a/wrapper/CMakeLists.txt b/wrapper/CMakeLists.txt
index f96a205e6..db1b145dc 100644
--- a/wrapper/CMakeLists.txt
+++ b/wrapper/CMakeLists.txt
@@ -9,7 +9,7 @@
 
 # project version
 set (SIRE_VERSION_MAJOR "2022")
-set (SIRE_VERSION_MINOR "1")
+set (SIRE_VERSION_MINOR "2")
 set (SIRE_VERSION_PATCH "0")
 
 set (SIRE_VERSION "${SIRE_VERSION_MAJOR}.${SIRE_VERSION_MINOR}.${SIRE_VERSION_PATCH}")