Update version to 3.0.0

CMakeLists.txt

@@ -23,8 +23,8 @@ project(ProMod3 CXX C)
 include(PROMOD3)
 
 # versioning info
-set(PROMOD3_VERSION_MAJOR 2)
-set(PROMOD3_VERSION_MINOR 1)
+set(PROMOD3_VERSION_MAJOR 3)
+set(PROMOD3_VERSION_MINOR 0)
 set(PROMOD3_VERSION_PATCH 0)
 set(PROMOD3_VERSION_STRING ${PROMOD3_VERSION_MAJOR}.${PROMOD3_VERSION_MINOR})
 set(PROMOD3_VERSION_STRING ${PROMOD3_VERSION_STRING}.${PROMOD3_VERSION_PATCH})
@@ -101,7 +101,7 @@ if(NOT DISABLE_DOCUMENTATION)
   # this URL should always point to the latest version of OST
   set(OST_DOC_URL "https://www.openstructure.org/docs")
 endif()
-find_package(OPENSTRUCTURE 1.11.0 REQUIRED
+find_package(OPENSTRUCTURE 2.0.0 REQUIRED
              COMPONENTS io mol seq seq_alg mol_alg conop img mol_mm)
 
 if(CMAKE_COMPILER_IS_GNUCXX)

container/Dockerfile

@@ -2,7 +2,7 @@ FROM registry.scicore.unibas.ch/schwede/openstructure:python3_test2
 
 # ARGUMENTS
 ###########
-ARG OPENSTRUCTURE_VERSION="python3_test2"
+ARG OPENSTRUCTURE_VERSION="2.0.0"
 ARG PROMOD_VERSION="3.0.0"
 ARG SRC_FOLDER="/usr/local/src"
 

doc/conf.py.in

@@ -286,7 +286,7 @@ rst_epilog = """
 .. |cmake| replace:: CMake
 .. |ost_l| replace:: OpenStructure
 .. |ost_s| replace:: OST
-.. |ost_version| replace:: 1.11.0
+.. |ost_version| replace:: 2.0.0
 .. |python| replace:: Python
 .. |sphinx| replace:: Sphinx
 .. _sphinx: http://sphinx-doc.org/

scripts/bump-version.py

 #!/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) < 3:
   print("USAGE: python scripts/bump-version.py PM3_VERSION OST_VERSION")
   print("-> *_VERSION format is MAJOR.MINOR.PATCH (e.g. 1.9.1)")