diff --git a/CMakeLists.txt b/CMakeLists.txt index f8dc63080242f57e5c5edf4fa34c9db0a72c4f77..7a659871bf319f7f99ed8ddcbce1d581f191bb9f 100644 --- a/CMakeLists.txt +++ b/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 6) -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) diff --git a/docker/Dockerfile b/docker/Dockerfile index f2924ede64d7ea85e398986b16fd907c3fc596c2..4f7de8f9a7e3f0deb4d9b49d5c4e417b4c289049 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -2,7 +2,7 @@ FROM ubuntu:22.04 # ARGUMENTS ########### -ARG OPENSTRUCTURE_VERSION="2.6.0" +ARG OPENSTRUCTURE_VERSION="2.6.1" 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 03bcc8c398dfbfe4f926c3fd67f22f331c8e0509..bc04d900abcd31a9e93314ea46f93d34eace5d4a 100644 --- a/singularity/Singularity +++ b/singularity/Singularity @@ -1,5 +1,5 @@ BootStrap: docker -From: registry.scicore.unibas.ch/schwede/openstructure:2.6.0-jammy +From: registry.scicore.unibas.ch/schwede/openstructure:2.6.1-jammy %post ############################################################################## # POST