Skip to content

Commit

Permalink
update release notes and version bump
Browse files Browse the repository at this point in the history
  • Loading branch information
greglandrum committed Mar 5, 2022
1 parent 0866f22 commit 3521ea0
Show file tree
Hide file tree
Showing 2 changed files with 55 additions and 1 deletion.
2 changes: 1 addition & 1 deletion CMakeLists.txt
Original file line number Diff line number Diff line change
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 "4")
set(RDKit_Revision "5")
set(RDKit_RevisionModifier "")
set(RDKit_ABI "1")

Expand Down
54 changes: 54 additions & 0 deletions ReleaseNotes.md
Original file line number Diff line number Diff line change
@@ -1,3 +1,57 @@
# Release_2021.09.5
(Changes relative to Release_2021.09.4)

## Acknowledgements
Kevin Burk, Niels Kristian Kjærgård Madsen, Dan Nealschneider, Steve Roughley,
Ricardo Rodriguez-Schmidt, Paolo Tosco, Kazuya Ujihara, Fabio Urbina, Riccardo
Vianello, Maciej Wójcikowski, yuri@FreeBSD


## Bug Fixes:
- GetSimilarityMapFromWeights changes behavior of parameter "colorMap" depending on whether the parameter "draw2d" is provided or not
(github #4763 from FabioUrbina)
- Missing dependency on RDKit::RingDecomposerLib_static in RDKit::GraphMol_static
(github #4875 from nielskm)
- cannot parse coordinate bonds from CXSMARTS
(github #4878 from greglandrum)
- update MD5 for the comicneue font
(github #4885 from greglandrum)
- fix some leaks in the SWIG wrappers
(github #4916 from greglandrum)
- Fix i-files for RDK_USE_BOOST_IOSTREAMS=OFF
(github #4933 from kazuyaujihara)
- Fails on i386: non-constant-expression cannot be narrowed from type 'unsigned int' to 'npy_intp' (aka 'int') in initializer list
(github #4934 from yurivict)
- Fix SWIG wrappers for C#
(github #4935 from kazuyaujihara)
- fix CMakeLists.txt extracting link line from python LDSHARED config var
(github #4954 from rvianello)
- add JavaGzStreamTests
(github #4973 from kazuyaujihara)
- Invalid SMARTS generated by MolToSmarts
(github #4981 from nielskm)
- Transform3D#SetRotation() around arbitrary axis scales coordinates
(github #4995 from sroughley)
- Bad handling of dummy atoms in the CIP assignment code
(github #4996 from greglandrum)
- Bad handling of fragments in CIP code
(github #4998 from greglandrum)
- Drawing query atoms containing an AND query raises an exception
(github #5006 from ptosco)
- Fix warning when generating coordinates for ZOBs
(github #5011 from d-b-w)
- Code in the docstring for `FindMolChiralCenters()` doesn't work
(github #5014 from greglandrum)
- Drop `gist_qmol_ops` in upgrade scripts in case it exists
(github #5021 from mwojcikowski)
- Remove extra newline from Kekulize error message.
(github #5022 from xavierholt)
- Neighboring Hs not taken into account in connectivity invariants
(github #5036 from greglandrum)
- To INCHI conversion leaks on kekulization failure
(github #5057 from ricrogz)


# Release_2021.09.4
(Changes relative to Release_2021.09.3)

Expand Down

0 comments on commit 3521ea0

Please sign in to comment.