diff --git a/CMakeLists.txt b/CMakeLists.txt index 727630fe544ea22be3eba6232589db6799af8cc6..91af96562fbee8cccd2d9e6c0ae957bdbfddd485 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -13,8 +13,8 @@ cmake_policy(SET CMP0060 NEW) project(OpenStructure CXX C) set (CMAKE_EXPORT_COMPILE_COMMANDS 1) -set (OST_VERSION_MAJOR 1) -set (OST_VERSION_MINOR 10) +set (OST_VERSION_MAJOR 2) +set (OST_VERSION_MINOR 0) 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 5dfd05ed74a8516a23cf789c3f3835bf1a31b04f..63df3f9e4267df1c596a16410463708a6463792c 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -2,7 +2,7 @@ FROM ubuntu:18.04 # ARGUMENTS ########### -ARG OPENSTRUCTURE_VERSION="python3_port" +ARG OPENSTRUCTURE_VERSION="2.0.0" ARG SRC_FOLDER="/usr/local/src" ARG CPUS_FOR_MAKE=2 ARG MSMS_VERSION="2.6.1" diff --git a/scripts/bump-version.py b/scripts/bump-version.py index 0df1088bf028b17120311117c18a908c9cfe71fe..367b3f6351fde5523f8ad38fc722739a468e4381 100755 --- a/scripts/bump-version.py +++ b/scripts/bump-version.py @@ -1,10 +1,5 @@ -#!/usr/bin/env python import sys -raise RuntimeError("Many things have changed in the Python 3 port. " + - "bump-version.py might require updates. " + - "Only remove this error after careful checking!") - if len(sys.argv) < 2: print("USAGE: python scripts/bump-version.py OST_VERSION") print("-> OST_VERSION is MAJOR.MINOR.PATCH (e.g. 1.9.1)") @@ -40,10 +35,3 @@ for i, line in enumerate(lines): if line.startswith("ARG OPENSTRUCTURE_VERSION"): lines[i] = 'ARG OPENSTRUCTURE_VERSION="%s"\n' % version_string open("docker/Dockerfile", "w").writelines(lines) - -# fix Singularity recipe -lines = open("singularity/Singularity").readlines() -for i, line in enumerate(lines): - if line.startswith("export OPENSTRUCTURE_VERSION="): - lines[i] = 'export OPENSTRUCTURE_VERSION="%s"\n' % version_string -open("singularity/Singularity", "w").writelines(lines)