From 068441957858f786c227825d90eb2c43f4f2b000 Mon Sep 17 00:00:00 2001 From: greg landrum Date: Fri, 10 Nov 2023 06:21:33 +0100 Subject: [PATCH] release prep --- CMakeLists.txt | 2 +- Docs/Book/conf.py | 2 +- ReleaseNotes.md | 58 +++++++++++++++++++++++++++++++++++++++++++++++ 3 files changed, 60 insertions(+), 2 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 99d627a9e5..a1c535f2a6 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -136,7 +136,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit") # Config variables: set(RDKit_Year "2023") set(RDKit_Month "09") -set(RDKit_Revision "1") +set(RDKit_Revision "2") set(RDKit_RevisionModifier "") set(RDKit_ABI "1") diff --git a/Docs/Book/conf.py b/Docs/Book/conf.py index 1ce8781ca9..760c933ca9 100644 --- a/Docs/Book/conf.py +++ b/Docs/Book/conf.py @@ -54,7 +54,7 @@ # The short X.Y version. version = '2023.09' # The full version, including alpha/beta/rc tags. -release = '2023.09.1' +release = '2023.09.2' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/ReleaseNotes.md b/ReleaseNotes.md index 5a1708c521..53b85b3b1d 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -1,3 +1,61 @@ +# Release_2023.09.2 +(Changes relative to Release_2023.09.1) + +## Acknowledgements +(Note: I'm no longer attempting to manually curate names. If you would like to +see your contribution acknowledged with your name, please set your name in +GitHub) + +Tad Hurst, Gareth Jones, Dan Nealschneider Ricardo Rodriguez-Schmidt, Paolo +Tosco, Rachel Walker, Meng Wu, vslashg + +## New Features and Enhancements: + - add maxRecursiveMatches to SubstructMatchParameters + (github issue #6017 from greglandrum) + - Removed some code duplication between Depictor.cpp and common.h + (github pull #6799 from greglandrum) + - Add support for writing chirality and stereo in MaeWriter + (github pull #6810 from rachelnwalker) + - Implement MinimalLib get_mcs() version that returns JSON + (github pull #6812 from ptosco) + - support generalized substructure search in the SubstructLibrary + (github pull #6835 from greglandrum) + - Support copying of GeneralizeQueryMolecules + (github issue #6851 from greglandrum) + +## Bug Fixes: + - CXSMILES: atom with labels should not also have `dummyLabel` property set + (github issue #6309 from greglandrum) + - Fixes for canonicalization, and stereochemistry + (github pull #6743 from tadhurst-cdd) + - MCS query incorrect when ringCompare=RingCompare.StrictRingFusion + (github issue #6773 from d-b-w) + - Fixes bug in get_sss_json() + (github pull #6806 from ptosco) + - SWIG builds failing on Windows + (github pull #6808 from jones-gareth) + - We should be able to run the tests without boost::iostreams + (github issue #6818 from greglandrum) + - Fix stereo bond corruption on RGD. + (github pull #6832 from jones-gareth) + - Fix unclosed resource in BuildFuncGroupHierarchy + (github pull #6846 from ricrogz) + - RGD: Fix doEnumeration true for cores that are not bundles + (github pull #6857 from jones-gareth) + - Fix build error when serialization is off. + (github pull #6867 from vslashg) + +## Cleanup work: + - Switch over to using pytest to run the python tests + (github pull #5916 from greglandrum) + - Redundant variable`hasCoreDummies` in R-group decomposition code + (github issue #6779 from MarioAndWario) + - remove the deprecated python implementation of MolStandardize + (github pull #6819 from greglandrum) + - Update CI, remove some warnings + (github pull #6882 from greglandrum) + + # Release_2023.09.1 (Changes relative to Release_2023.03.1)