From 0ece02e9254ef2d5eeade2bd40eb13546522dbd3 Mon Sep 17 00:00:00 2001 From: greg landrum Date: Fri, 27 Feb 2026 04:56:31 +0100 Subject: [PATCH] update release notes and tag release --- CMakeLists.txt | 2 +- Docs/Book/conf.py | 2 +- ReleaseNotes.md | 54 +++++++++++++++++++++++++++++++++++++++++++++++ 3 files changed, 56 insertions(+), 2 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 37c245fa4..ae6eebfd6 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -152,7 +152,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit") # Config variables: set(RDKit_Year "2025") set(RDKit_Month "09") -set(RDKit_Revision "5") +set(RDKit_Revision "6") set(RDKit_RevisionModifier "") set(RDKit_ABI "1") diff --git a/Docs/Book/conf.py b/Docs/Book/conf.py index f88aeedf6..4c0d5608d 100644 --- a/Docs/Book/conf.py +++ b/Docs/Book/conf.py @@ -54,7 +54,7 @@ copyright = u'2026, Greg Landrum and other RDKit contributors' # The short X.Y version. version = '2025.09' # The full version, including alpha/beta/rc tags. -release = '2025.09.5' +release = '2025.09.6' # 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 99aafa5e2..6b8de00ab 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -1,3 +1,57 @@ +# Release_2025.09.6 +(Changes relative to Release_2025.09.5) + +## 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) + +Jessica Braun, Jackson Burns, Sergey Fedorov, Lauriane Jacot-Descombes, Eisuke +Kawashima, Brian Kelley, Joos Kiener, Yakov Pechersky, Paul Pillot, Ricardo +Rodriguez, Matt Swain + +## New Features and Enhancements: + - Exclude Zero order bonds from FindRingFamilies() and add arguments for includeDativeBonds, includeHydrogenBonds + (github pull #9118 from ricrogz) + +## Bug Fixes: + - Get things working with numpy 2.4 and pandas 3.0 + (github pull #9072 from greglandrum) + - Chemdraw build fails on Big-endian: `cs_swapBytes.h: error: parse error in template argument list` + (github issue #9077 from barracuda156) + - Another canonicalization fix + (github pull #9082 from ricrogz) + - CopyMolSubset silently rewires bonds when bondIndices reference atoms not in atomIndices + (github issue #9084 from mcs07) + - CopyMolSubset ignores bondIndices when all atoms are included + (github issue #9088 from mcs07) + - Fix SMARTS for the strict definition of rotatable bonds + (github pull #9096 from brje01) + - Cannot build JS bindings with MCS option enabled. + (github pull #9110 from papillot) + - DetermineBonds fails for thiolate + (github issue #9114 from LaurianeJD) + - when shifting double bonds in tautomerization, set double bond stereo to STEREOANY + (github pull #9119 from pechersky) + +## Cleanup work: + - style: apply readability-braces-around-statements + (github pull #8136 from e-kwsm) + - The precondition in Bond::getOtherAtomIdx() is redundant + (github pull #9092 from ricrogz) + - Modernize loops and clean up ring finding + (github pull #9098 from ricrogz) + - Further refactoring in SSSR finding + (github pull #9104 from ricrogz) + +## Documentation: + - fix the python docs for CanonicalRankAtomsInFragment + (github pull #9087 from greglandrum) + - Confusing Deprecation Warning regarding GetImplicitValence + (github pull #9117 from kienerj) + - Update The SSSR Problem `GetSSSR` Documentation + (github pull #9121 from JacksonBurns) + # Release_2025.09.5 (Changes relative to Release_2025.09.4)