Merge branch 'master' into develop

CHANGELOG

@@ -5,6 +5,12 @@
 Changelog
 ================================================================================
 
+Release 3.4.2
+--------------------------------------------------------------------------------
+
+* Bugfix release: Updates OpenStructure dependency to 2.9.1, exposes
+  keep_sidechain flag in promod3.modelling.BuildSidechains.
+
 Release 3.4.1
 --------------------------------------------------------------------------------
 

CMakeLists.txt

@@ -25,7 +25,7 @@ include(PROMOD3)
 # versioning info
 set(PROMOD3_VERSION_MAJOR 3)
 set(PROMOD3_VERSION_MINOR 4)
-set(PROMOD3_VERSION_PATCH 1)
+set(PROMOD3_VERSION_PATCH 2)
 set(PROMOD3_VERSION_STRING ${PROMOD3_VERSION_MAJOR}.${PROMOD3_VERSION_MINOR})
 set(PROMOD3_VERSION_STRING ${PROMOD3_VERSION_STRING}.${PROMOD3_VERSION_PATCH})
 
@@ -103,7 +103,7 @@ if(NOT DISABLE_DOCUMENTATION)
   # this URL should always point to the latest version of OST
   set(OST_DOC_URL "https://www.openstructure.org/docs")
 endif()
-find_package(OPENSTRUCTURE 2.8.0 REQUIRED
+find_package(OPENSTRUCTURE 2.9.1 REQUIRED
              COMPONENTS io mol seq seq_alg mol_alg conop img mol_mm)
 
 if(CMAKE_COMPILER_IS_GNUCXX)

container/Dockerfile

-ARG OPENSTRUCTURE_IMAGE_TAG="2.9.0-jammy"
+ARG OPENSTRUCTURE_IMAGE_TAG="2.9.1-jammy"
 FROM registry.scicore.unibas.ch/schwede/openstructure:${OPENSTRUCTURE_IMAGE_TAG}
 
 # ARGUMENTS
 ###########
-ARG PROMOD_VERSION="3.4.1"
+ARG PROMOD_VERSION="3.4.2"
 ARG SRC_FOLDER="/usr/local/src"
 
 

container/Singularity

 BootStrap: docker
-From: registry.scicore.unibas.ch/schwede/promod3:3.4.1-OST2.9.0-jammy
+From: registry.scicore.unibas.ch/schwede/promod3:3.4.2-OST2.9.1-jammy
 %post
 ##############################################################################
 # POST

doc/conf.py.in

@@ -286,7 +286,7 @@ rst_epilog = """
 .. |cmake| replace:: CMake
 .. |ost_l| replace:: OpenStructure
 .. |ost_s| replace:: OST
-.. |ost_version| replace:: 2.8.0
+.. |ost_version| replace:: 2.9.1
 .. |python| replace:: Python
 .. |sphinx| replace:: Sphinx
 .. _sphinx: http://sphinx-doc.org/