Update version to 2.2.0

CHANGELOG.txt

-Changes in Release 2.x.x
+Changes in Release 2.2.0
 --------------------------------------------------------------------------------
 
  * Introduced CreateMeanlDDTHA function to evaluate the consistency of a

CMakeLists.txt

@@ -14,7 +14,7 @@ cmake_policy(SET CMP0060 NEW)
 project(OpenStructure CXX C)
 set (CMAKE_EXPORT_COMPILE_COMMANDS 1)
 set (OST_VERSION_MAJOR 2)
-set (OST_VERSION_MINOR 1)
+set (OST_VERSION_MINOR 2)
 set (OST_VERSION_PATCH 0)
 set (OST_VERSION_STRING ${OST_VERSION_MAJOR}.${OST_VERSION_MINOR}.${OST_VERSION_PATCH} )
 set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${PROJECT_SOURCE_DIR}/cmake_support)

docker/Dockerfile

@@ -2,7 +2,7 @@ FROM ubuntu:18.04
 
 # ARGUMENTS
 ###########
-ARG OPENSTRUCTURE_VERSION="2.1.0"
+ARG OPENSTRUCTURE_VERSION="2.2.0"
 ARG SRC_FOLDER="/usr/local/src"
 ARG CPUS_FOR_MAKE=2
 ARG MSMS_VERSION="2.6.1"

singularity/Singularity

 BootStrap: docker
-From: registry.scicore.unibas.ch/schwede/openstructure:2.1.0-bionic
+From: registry.scicore.unibas.ch/schwede/openstructure:2.2.0
 %post
 ##############################################################################
 # POST