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tag release
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@@ -151,7 +151,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit")
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# Config variables:
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set(RDKit_Year "2025")
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set(RDKit_Month "09")
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set(RDKit_Revision "4")
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set(RDKit_Revision "5")
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set(RDKit_RevisionModifier "")
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set(RDKit_ABI "1")
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@@ -54,7 +54,7 @@ copyright = u'2026, Greg Landrum and other RDKit contributors'
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# The short X.Y version.
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version = '2025.09'
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# The full version, including alpha/beta/rc tags.
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release = '2025.09.4'
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release = '2025.09.5'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@@ -6,11 +6,62 @@
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see your contribution acknowledged with your name, please set your name in
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GitHub)
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Chris Von Bargen, David Cosgrove, Tad Hurst, Eisuke Kawashima, Brian Kelley,
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Niels Maeder, Syed Zayyan Masud, Yakov Pechersky, Vandan Revanur, Ricardo
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Rodriguez, Raul Sofia, Philip Ullmann, kuzp, wszqkzqk, stephenting22, DrrDom,
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diogomart
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## New Features and Enhancements:
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- Performance improvement: Implement buffered reading for SDMolSupplier
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(github pull #9010 from RaulSofia)
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- Allow molzip to position fragments when joining them
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(github pull #9021 from greglandrum)
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- Improve POPCNT optimization flag handling to build on other arches like riscv64 and loong64
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(github pull #9029 from wszqkzqk)
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- Read SD property names till the last '>'
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(github pull #9047 from ricrogz)
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- cleanup of stereogroups and wedges for non-chiral sites
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(github pull #9051 from tadhurst-cdd)
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- Store CIP-ranked anchors after CIP labeling.
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(github pull #9056 from ricrogz)
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## Bug Fixes:
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- Atom properties as SDF file data break if the array is too long
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(github issue #8918 from bp-kelley)
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- Handle chiral atoms with 2 hydrogens in SCSR parser
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(github pull #8939 from tadhurst-cdd)
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- Incorrect hydrogen bond acceptor count for N-heterocycles
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(github issue #8997 from stephenting22)
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- Hs labeled implicit or explicit depending on presence of 3D conformer. Chem.RemoveHs differs from MolFromMolBlock removeHs
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(github issue #9020 from diogomart)
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- Tversky for zero prototype string with alpha=1 and beta=0 returns incorrect output
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(github issue #9033 from DrrDom)
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- SIGSEGV in rdFMCS.FindMCS when params.StoreAll = True
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(github issue #9034 from kuzp)
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- BestAlignmentParams does not compile on macos due to clang issues
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(github issue #9041 from pechersky)
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- CXSMILES: do not add separators for unserializable Substance Groups
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(github pull #9048 from ricrogz)
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- Prevent CIP labels of bonds from being calculated twice.
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(github pull #9052 from ricrogz)
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- added FABS to test for issue #4364
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(github pull #9053 from tadhurst-cdd)
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- Fix removing (non)redundant bond dir specs when exporting SMILES
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(github pull #9066 from ricrogz)
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## Cleanup work:
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- Fix deprecated literal operators and macro redefinition warnings for modern compilers
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(github pull #9055 from cdvonbargen)
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- Move some more tests over to catch2
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(github pull #9058 from greglandrum)
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- Transform::SetRotationFromQuaternion takes const.
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(github pull #9063 from DavidACosgrove)
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## Documentation:
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- Update deprecation messages for valence methods
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(github pull #9050 from philipullmann)
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## Deprecated code (to be removed in a future release):
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- The version of hanoiSort() that takes raw pointers has been deprecated. Please use the version that takes std::span and std::vector.
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- `Chirality::StereoInfo::NOATOM` (C++) and `Chem.StereoInfo.NOATOM` (Python) have been deprecated in favor of `Atom::NOATOM` and `Chem.Atom.NOATOM`.
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