diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 78e177d1f752f607e85538e90b39a48ac88d9b37..29a38675d7258a88449d6c4f15d7f761c2eb9193 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -1,4 +1,4 @@ -Changes in Release 2.x.c +Changes in Release 2.3.1 -------------------------------------------------------------------------------- * Simplify Dockerfile - remove MSMS diff --git a/CMakeLists.txt b/CMakeLists.txt index c118d3d0a100c940124a48699f21918d43dc815a..5f81621413811bd35930ff6507a3ddfd39e9e359 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 3) -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 93ba3a0c638ff7bacaa2d9ae0905cdd89e5b4207..4a1a9bd26ead4670ec8ab8791ed0648c70b23971 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -2,7 +2,7 @@ FROM ubuntu:20.04 # ARGUMENTS ########### -ARG OPENSTRUCTURE_VERSION="2.3.0" +ARG OPENSTRUCTURE_VERSION="2.3.1" ARG SRC_FOLDER="/usr/local/src" ARG CPUS_FOR_MAKE=2 ARG OPENMM_VERSION="7.1.1" diff --git a/singularity/Singularity b/singularity/Singularity index dd26e2a39ff55ef5417c5f215ffc0bdcc5775a69..09f83f356b95ceeee34cf0ebbf34d4e38660cc4d 100644 --- a/singularity/Singularity +++ b/singularity/Singularity @@ -1,5 +1,5 @@ BootStrap: docker -From: registry.scicore.unibas.ch/schwede/openstructure:2.3.0-focal +From: registry.scicore.unibas.ch/schwede/openstructure:2.3.1-focal %post ############################################################################## # POST