Merge branch 'master' into develop

CHANGELOG

@@ -5,6 +5,13 @@
 Changelog
 ================================================================================
 
+Release 3.1.0
+--------------------------------------------------------------------------------
+
+* Introduce alignment processing steps in BuildRawModel
+* Several minor bug fixes, improvements, and speed-ups.
+
+
 Release 3.0.0
 --------------------------------------------------------------------------------
 

CMakeLists.txt

@@ -24,7 +24,7 @@ include(PROMOD3)
 
 # versioning info
 set(PROMOD3_VERSION_MAJOR 3)
-set(PROMOD3_VERSION_MINOR 0)
+set(PROMOD3_VERSION_MINOR 1)
 set(PROMOD3_VERSION_PATCH 0)
 set(PROMOD3_VERSION_STRING ${PROMOD3_VERSION_MAJOR}.${PROMOD3_VERSION_MINOR})
 set(PROMOD3_VERSION_STRING ${PROMOD3_VERSION_STRING}.${PROMOD3_VERSION_PATCH})

container/Dockerfile

@@ -3,7 +3,7 @@ FROM registry.scicore.unibas.ch/schwede/openstructure:${OPENSTRUCTURE_VERSION}
 
 # ARGUMENTS
 ###########
-ARG PROMOD_VERSION="3.0.0"
+ARG PROMOD_VERSION="3.1.0"
 ARG SRC_FOLDER="/usr/local/src"
 
 

container/Singularity

 BootStrap: docker
-From: registry.scicore.unibas.ch/schwede/promod3:3.0.0-OST2.0.0-bionic
+From: registry.scicore.unibas.ch/schwede/promod3:3.1.0-OST2.0.0-bionic
 %post
 ##############################################################################
 # POST