Updates for the 2020.1.0 release.

michellab · Jul 28, 2020 · ef2e98f · ef2e98f
1 parent 5d4968f
commit ef2e98f
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Showing 3 changed files with 15 additions and 4 deletions.
diff --git a/CHANGELOG b/CHANGELOG
@@ -3,6 +3,17 @@ SIRE changelog
 
 devel branch:
 
+    [2020.1.0] July 2020 - Fixed bug in WaterView program to ensure that a
+               molecule is extracted from the returned list. Stable sorting
+               of dihedrals and other potential terms to allow reproducible
+               writing of input files for SOMD (@ptosco). Updated the
+               FreeEnergyAnalysis script to support different versions of the
+               pymbar API. Significant performance improvement to the GroTop
+               parser by looping over cut-groups during non-bonded matrix
+               evaluation. Updated Miniconda and conda dependencies to latest
+               cross-compatible versions. Fixed minor copiler and runtime
+               issues (@nigel-cresset).
+
     [2019.3.0] November 2019 - Added functionality to restrict the search space
                when finding paths between atoms or searching for rings. Fixed
                performance issue in GroTop parser caused by an N^2 loop over

diff --git a/corelib/CMakeLists.txt b/corelib/CMakeLists.txt
@@ -6,8 +6,8 @@
 #
 ################################
 
-set (S_VERSION_MAJOR "2019")
-set (S_VERSION_MINOR "3")
+set (S_VERSION_MAJOR "2020")
+set (S_VERSION_MINOR "1")
 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
@@ -8,8 +8,8 @@
 ################################
 
 # project version
-set (SIRE_VERSION_MAJOR "2019")
-set (SIRE_VERSION_MINOR "3")
+set (SIRE_VERSION_MAJOR "2020")
+set (SIRE_VERSION_MINOR "1")
 set (SIRE_VERSION_PATCH "0")
 
 set (SIRE_VERSION "${SIRE_VERSION_MAJOR}.${SIRE_VERSION_MINOR}.${SIRE_VERSION_PATCH}")