version bump

This commit is contained in:
greg landrum
2021-08-24 07:00:59 +02:00
parent 4ded91b123
commit e57f7bbe37
2 changed files with 35 additions and 5 deletions

View File

@@ -120,7 +120,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit")
# Config variables:
set(RDKit_Year "2021")
set(RDKit_Month "03")
set(RDKit_Revision "4")
set(RDKit_Revision "5")
set(RDKit_RevisionModifier "")
set(RDKit_ABI "1")

View File

@@ -1,3 +1,37 @@
# Release_2021.03.5
(Changes relative to Release_2021.03.4)
## Acknowledgements
Jason Biggs, Brian Kelley, Lewis J. Martin, Dan Nealschneider, Ricardo
Rodriguez-Schmidt, David Slochower, Paolo Tosco, Maciej Wójcikowski
## Bug Fixes:
- cannot pass drawOptions to MolsToGridImage when using notebook
(github #3101 from slochower)
- call to AvalonTools::set2DCoords results in an assert violation
(github #4330 from jasondbiggs)
- MolBlock writer gives non-stereo double bonds "unspecified" parity
(github #4345 from d-b-w)
- Specified trans stereo being ignored during conformation generation in macrocycles
(github #4346 from greglandrum)
- Two MinGW build fixes and one MSVC build fix
(github #4347 from ptosco)
- Fixes RDK_BUILD_THREADSAFE_SSS=OFF build
(github #4349 from ptosco)
- Three more Windows build fixes
(github #4356 from ptosco)
- Specified grid spacing for ShapeTanimotoDistance is ignored.
(github #4364 from greglandrum)
- Need implicit H cleanup after rdMolEnumerator.Enumerate()
(github #4381 from greglandrum)
- rdMolEnumerator.Enumerate fails on variable attachment points with queries
(github #4382 from greglandrum)
- RDKit reaction produces wrong double bond stereochemistry
(github #4410 from mwojcikowski)
- v2000 SGroups do not generate an "index" property
(github #4434 from ricrogz)
# Release_2021.03.4
(Changes relative to Release_2021.03.3)
@@ -5,8 +39,6 @@
Brian Kelley, Rasmus Lundsgaard, Dan Nealschneider, Ricardo Rodriguez-Schmidt,
Matt Swain, Paolo Tosco, Kazuya Ujihara, Alain Vaucher, 'jungb-basf'
## Bug Fixes:
- EnumerateStereoisomers fail with STEREOANY bonds from molblock
(github #3759 from TermeHansen)
@@ -38,8 +70,6 @@ Matt Swain, Paolo Tosco, Kazuya Ujihara, Alain Vaucher, 'jungb-basf'
(github #4311 from greglandrum)
# Release_2021.03.3
(Changes relative to Release_2021.03.2)