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version bump and release notes
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greglandrum committed Dec 10, 2021
1 parent bf3ec37 commit cd7d486
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2 changes: 1 addition & 1 deletion CMakeLists.txt
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Expand Up @@ -128,7 +128,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit")
# Config variables:
set(RDKit_Year "2021")
set(RDKit_Month "09")
set(RDKit_Revision "2")
set(RDKit_Revision "3")
set(RDKit_RevisionModifier "")
set(RDKit_ABI "1")

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42 changes: 42 additions & 0 deletions ReleaseNotes.md
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@@ -1,3 +1,45 @@
# Release_2021.09.3
(Changes relative to Release_2021.09.2)

## Acknowledgements
Jacob Gora, Gareth Jones, Brian Kelley, Ricardo Rodriguez-Schmidt, Paolo Tosco,
Kazuya Ujihara, Riccardo Vianello

## Bug Fixes:
- handle sqlalchemy deprecation
(github #4625 from greglandrum)
- fix parsing beyond the end of the input string in findMCSsmiles
(github #4636 from rvianello)
- Mem leak fixes
(github #4637 from ricrogz)
- Subsequent call to rdChemReactions.ChemicalReaction.RunReactants will block indefinitely.
(github #4651 from goraj)
- Fix docstring of ConstrainedEmbed
(github #4666 from kazuyaujihara)
- [Operational] get windows CI builds working again
(github #4672 from greglandrum)
- Molfile SDD records not properly displayed
(github #4690 from jones-gareth)
- RGD: fix for cores with MOL block atom lists
(github #4695 from jones-gareth)
- RGD align output core to input structure
(github #4709 from jones-gareth)
- TorsionFingerprints raises error with S(Cl)F4 group
(github #4720 from kazuyaujihara)
- TautomerEnumerator will crash if copied with a callback set
(github #4736 from ptosco)
- Update mac CI builds
(github #4738 from greglandrum)
- Minor PandasTools cleanup
(github #4744 from ptosco)
- Reaction parser fails when CX extensions are present
(github #4759 from greglandrum)
- Fixes crashing bug with finalSubstructChecks
(github #4782 from greglandrum)
- [Cartridge]: qmol_from_ctab and qmol_from_smiles are sanitizing molecules
(github #4787 from greglandrum)


# Release_2021.09.2
(Changes relative to Release_2021.09.1)

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