Update version to 2.3.1

CHANGELOG.txt

-Changes in Release 2.x.c
+Changes in Release 2.3.1
 --------------------------------------------------------------------------------
 
  * Simplify Dockerfile - remove MSMS

CMakeLists.txt

@@ -15,7 +15,7 @@ project(OpenStructure CXX C)
 set (CMAKE_EXPORT_COMPILE_COMMANDS 1)
 set (OST_VERSION_MAJOR 2)
 set (OST_VERSION_MINOR 3)
-set (OST_VERSION_PATCH 0)
+set (OST_VERSION_PATCH 1)
 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)
 include(OST)

docker/Dockerfile

@@ -2,7 +2,7 @@ FROM ubuntu:20.04
 
 # ARGUMENTS
 ###########
-ARG OPENSTRUCTURE_VERSION="2.3.0"
+ARG OPENSTRUCTURE_VERSION="2.3.1"
 ARG SRC_FOLDER="/usr/local/src"
 ARG CPUS_FOR_MAKE=2
 ARG OPENMM_VERSION="7.1.1"

singularity/Singularity

 BootStrap: docker
-From: registry.scicore.unibas.ch/schwede/openstructure:2.3.0-focal
+From: registry.scicore.unibas.ch/schwede/openstructure:2.3.1-focal
 %post
 ##############################################################################
 # POST