diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 406518a8eb0617e93ffde7a289536b271900c5e4..ef6d7297c4ad593b5988e81ecbd21a7e2c58ca3e 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -1,4 +1,4 @@ -Changes in Release x.x.x +Changes in Release 2.8.0 -------------------------------------------------------------------------------- * heavy water (DOD) is now recognised as 'water' instead of 'non-polymer' by diff --git a/CMakeLists.txt b/CMakeLists.txt index c5a7f82a84892190623d18f200922d01fa694ae6..1ff94f97da8a9eced92f710db9139ef91150ea2e 100644 --- a/CMakeLists.txt +++ b/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 7) +set (OST_VERSION_MINOR 8) 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) diff --git a/docker/Dockerfile b/docker/Dockerfile index 075735de67f94fa7207ed4ff6bfd69377bdaa500..b7bbf68ab362aed955d0279f68455b31aadcc90a 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -2,7 +2,7 @@ FROM ubuntu:22.04 # ARGUMENTS ########### -ARG OPENSTRUCTURE_VERSION="2.7.0" +ARG OPENSTRUCTURE_VERSION="2.8.0" ARG SRC_FOLDER="/usr/local/src" ARG CPUS_FOR_MAKE=2 ARG OPENMM_VERSION="7.7.0" diff --git a/singularity/Singularity b/singularity/Singularity index e16d4ad5491baf7aa034de4153c0726800dbfbe3..395c512ca3289341613932f39e24ae9aed0fc264 100644 --- a/singularity/Singularity +++ b/singularity/Singularity @@ -1,5 +1,5 @@ BootStrap: docker -From: registry.scicore.unibas.ch/schwede/openstructure:2.7.0-jammy +From: registry.scicore.unibas.ch/schwede/openstructure:2.8.0 %post ############################################################################## # POST