Updates for the 2022.3.0 release.

michellab · Jun 29, 2022 · fe8ebb5 · fe8ebb5
1 parent 8af5a7e
commit fe8ebb5
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Showing 3 changed files with 14 additions and 2 deletions.
diff --git a/CHANGELOG b/CHANGELOG
@@ -3,6 +3,18 @@ SIRE changelog
 
 devel branch:
 
+    [2022.3.0] June 2022 - Added support for parsing SDF files (@chryswoods).
+               Move conda build process to Miniforge and mambdabuild (boa) to
+               avoid timeouts and memory issues. Update GroTop parser to ensure
+               new atom types are created when names match but parameters
+               differ. Added additional BioSimSpace wrapper to update
+               coordinates and velocities in a system, without first requiring
+               that it is modified to have unique atom and residue numbers.
+               Use -Oz compiler flag rather than -Os for compiling Python
+               wrappers to avoid "illegal hardware instruction" error with
+               Clang 14 on macOS x86_64. Fixed issue reconstructing triclinic
+               box objects from a binary data stream.
+
     [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

diff --git a/corelib/CMakeLists.txt b/corelib/CMakeLists.txt
@@ -7,7 +7,7 @@
 ################################
 
 set (S_VERSION_MAJOR "2022")
-set (S_VERSION_MINOR "2")
+set (S_VERSION_MINOR "3")
 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
@@ -9,7 +9,7 @@
 
 # project version
 set (SIRE_VERSION_MAJOR "2022")
-set (SIRE_VERSION_MINOR "2")
+set (SIRE_VERSION_MINOR "3")
 set (SIRE_VERSION_PATCH "0")
 
 set (SIRE_VERSION "${SIRE_VERSION_MAJOR}.${SIRE_VERSION_MINOR}.${SIRE_VERSION_PATCH}")