diff --git a/CMakeLists.txt b/CMakeLists.txt index eff58f197..77939f452 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -153,7 +153,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit") # Config variables: set(RDKit_Year "2025") set(RDKit_Month "03") -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 1366b6c71..88286ca7f 100644 --- a/Docs/Book/conf.py +++ b/Docs/Book/conf.py @@ -54,7 +54,7 @@ copyright = u'2025, Greg Landrum and other RDKit contributors' # The short X.Y version. version = '2025.03' # The full version, including alpha/beta/rc tags. -release = '2025.03.5' +release = '2025.03.6' # 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 ef9fe5bb1..0266a9163 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -1,3 +1,60 @@ +# Release_2025.03.6 +(Changes relative to Release_2025.03.5) + +## 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) + +Jakub Adamczyk, Michael Cho, David Cosgrove, Hussein Faara, Tad Hurst, Eisuke +Kawashima, Brian Kelley, Yakov Pechersky, Pat Riley, Ricardo Rodriguez, Paolo +Tosco, jdavies-nurix, badisa + +## New Features and Enhancements: + - Expose CDX support to FileParsers and ChemDraw to SWIG + (github pull #8681 from bp-kelley) + - Add the useRingTemplates option to generateDepictionMatching2DStructure + (github pull #8688 from ricrogz) + +## Documentation: + - rdkit.Chem.BRICS.BRICSBuild misses docstring + (github issue #7215 from e-kwsm) + - Fix documentation errors for rdShapeAlign + (github pull #8685 from badisa) + - document the way the 2D/3D flag in ctabs is handled + (github pull #8722 from greglandrum) + - Update documentation for rdShapeAlign.AlignMol opt_param + (github pull #8724 from priley-vv) + +## Bug Fixes: + - GETAWAY descriptors seem nondeterministic + (github issue #7264 from j-adamczyk) + - Reading molecule from block gives None with no warning -- likely due to Cannot normalize a zero length vector in atropisomer code + (github issue #8602 from pechersky) + - RegistrationHash produces 2 separate hashes for 2636640-50-9 depending on input + (github issue #8654 from jdavies-nurix) + - Incorrect canonicalization when generating CXSMILES without enhanced stereo + (github issue #8655 from greglandrum) + - Incorrect MolHash when generating CXSMILES without enhanced stereo + (github issue #8656 from greglandrum) + - Fix parse error messages for bad characters + (github pull #8675 from whosayn) + - DrawMoleculeWithHighlights doesn't use SetOffset + (github issue #8679 from DavidACosgrove) + - Fix build with Boost 1.89.0 + (github pull #8694 from cho-m) + - Fix drawing of very short arcs in lasso. + (github pull #8706 from DavidACosgrove) + - rdMolTransforms.CanonicalizeConformer inverts structure + (github issue #8720 from DavidACosgrove) + - Two small MinimalLib RGD bug fixes + (github pull #8729 from ptosco) + - Fixes a bug with bad H positions in output conformer + (github pull #8731 from greglandrum) + - patch a memory allocation problem in the pubchem shape code + (github pull #8733 from greglandrum) + + # Release_2025.03.5 (Changes relative to Release_2025.03.4)