diff --git a/CMakeLists.txt b/CMakeLists.txt index 83aa5d857cd44b803c1de242cfeb5cdbe018624b..aa7daa5413e1039eb3ec3181d824caa050686f3a 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 4) +set (OST_VERSION_MINOR 5) 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 1975e401be9e21d7bcbee708b8ab5b5d068ebc5b..e019bcef45d8742129ea99819072b09b9baea6eb 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -2,7 +2,7 @@ FROM ubuntu:22.04 # ARGUMENTS ########### -ARG OPENSTRUCTURE_VERSION="2.4.0" +ARG OPENSTRUCTURE_VERSION="2.5.0" 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 1d1a0da33345fc2415fca5d32643f7a15b1bad5a..71f2c00fcad8ca8a2be1939865a2e7254ef0b486 100644 --- a/singularity/Singularity +++ b/singularity/Singularity @@ -1,5 +1,5 @@ BootStrap: docker -From: registry.scicore.unibas.ch/schwede/openstructure:2.4.0-jammy +From: registry.scicore.unibas.ch/schwede/openstructure:2.5.0-jammy %post ############################################################################## # POST