diff --git a/CMakeLists.txt b/CMakeLists.txt index 579e95461..61dbd438b 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -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") diff --git a/ReleaseNotes.md b/ReleaseNotes.md index 0703dc2b3..6ed48c958 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -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)