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Code Issues Releases Activity

science/rdkit: update 2023_03_3 → 2023_09_1

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Reported by:	portscout
This commit is contained in:
Yuri Victorovich 2023-10-15 15:06:22 -07:00
parent 53b40e732a
commit cfaac4b2ed
3 changed files with 26 additions and 9 deletions
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3
science/rdkit/Makefile
View File

@ -1,7 +1,6 @@
PORTNAME= rdkit
DISTVERSIONPREFIX= Release_
DISTVERSION= 2023_03_3
PORTREVISION= 1
DISTVERSION= 2023_09_1
CATEGORIES= science
MASTER_SITES= https://fonts.google.com/download?family=Comic%20Neue&dummy=/:font
DISTFILES= Comic_Neue.zip:font

14
science/rdkit/distinfo
View File

@ -1,7 +1,7 @@
TIMESTAMP = 1692346791
SHA256 (rdkit-2023.03.3/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5
SIZE (rdkit-2023.03.3/Comic_Neue.zip) = 180686
SHA256 (rdkit-2023.03.3/rdkit-rdkit-Release_2023_03_3_GH0.tar.gz) = bdbf9a2e6988526bfeb8c56ce3cdfe2998d60ac289078e2215374288185e8c8d
SIZE (rdkit-2023.03.3/rdkit-rdkit-Release_2023_03_3_GH0.tar.gz) = 79473471
SHA256 (rdkit-2023.03.3/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715
SIZE (rdkit-2023.03.3/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931
TIMESTAMP = 1697396118
SHA256 (rdkit-2023.09.1/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5
SIZE (rdkit-2023.09.1/Comic_Neue.zip) = 180686
SHA256 (rdkit-2023.09.1/rdkit-rdkit-Release_2023_09_1_GH0.tar.gz) = e0ff8e330c98b93ac8277a59b2369d9a38027afadb4f03bb34c6924d445f08d5
SIZE (rdkit-2023.09.1/rdkit-rdkit-Release_2023_09_1_GH0.tar.gz) = 79902100
SHA256 (rdkit-2023.09.1/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715
SIZE (rdkit-2023.09.1/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931

18
science/rdkit/pkg-plist
View File

@ -165,9 +165,11 @@ include/rdkit/GraphMol/FragCatalog/FragCatParams.h
include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h
include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h
include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h
include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h
include/rdkit/GraphMol/GenericGroups/GenericGroups.h
include/rdkit/GraphMol/GraphMol.h
include/rdkit/GraphMol/MMPA/MMPA.h
include/rdkit/GraphMol/MarvinParser/MarvinParser.h
include/rdkit/GraphMol/MolAlign/AlignMolecules.h
include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h
include/rdkit/GraphMol/MolBundle.h
@ -225,6 +227,10 @@ include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h
include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h
include/rdkit/GraphMol/ROMol.h
include/rdkit/GraphMol/RWMol.h
include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h
include/rdkit/GraphMol/RascalMCES/RascalMCES.h
include/rdkit/GraphMol/RascalMCES/RascalOptions.h
include/rdkit/GraphMol/RascalMCES/RascalResult.h
include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h
include/rdkit/GraphMol/Resonance.h
include/rdkit/GraphMol/RingInfo.h
@ -387,6 +393,9 @@ lib/libRDKitForceFieldHelpers.so.1.%%SHLIB_VER%%
lib/libRDKitFragCatalog.so
lib/libRDKitFragCatalog.so.1
lib/libRDKitFragCatalog.so.1.%%SHLIB_VER%%
lib/libRDKitGeneralizedSubstruct.so
lib/libRDKitGeneralizedSubstruct.so.1
lib/libRDKitGeneralizedSubstruct.so.1.%%SHLIB_VER%%
lib/libRDKitGenericGroups.so
lib/libRDKitGenericGroups.so.1
lib/libRDKitGenericGroups.so.1.%%SHLIB_VER%%
@ -399,6 +408,9 @@ lib/libRDKitInfoTheory.so.1.%%SHLIB_VER%%
lib/libRDKitMMPA.so
lib/libRDKitMMPA.so.1
lib/libRDKitMMPA.so.1.%%SHLIB_VER%%
lib/libRDKitMarvinParser.so
lib/libRDKitMarvinParser.so.1
lib/libRDKitMarvinParser.so.1.%%SHLIB_VER%%
lib/libRDKitMolAlign.so
lib/libRDKitMolAlign.so.1
lib/libRDKitMolAlign.so.1.%%SHLIB_VER%%
@ -450,6 +462,9 @@ lib/libRDKitRDStreams.so.1.%%SHLIB_VER%%
lib/libRDKitRGroupDecomposition.so
lib/libRDKitRGroupDecomposition.so.1
lib/libRDKitRGroupDecomposition.so.1.%%SHLIB_VER%%
lib/libRDKitRascalMCES.so
lib/libRDKitRascalMCES.so.1
lib/libRDKitRascalMCES.so.1.%%SHLIB_VER%%
lib/libRDKitReducedGraphs.so
lib/libRDKitReducedGraphs.so.1
lib/libRDKitReducedGraphs.so.1.%%SHLIB_VER%%
@ -615,6 +630,7 @@ lib/libRDKitga.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/ShowMols.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SimpleEnum/Enumerator.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SimpleEnum/__init__.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SpacialScore.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Subshape/BuilderUtils.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Subshape/SubshapeAligner.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Subshape/SubshapeBuilder.py
@ -645,6 +661,7 @@ lib/libRDKitga.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdFMCS.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdFingerprintGenerator.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdForceFieldHelpers.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdGeneralizedSubstruct.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMHFPFingerprint.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMMPA.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolAlign.so
@ -657,6 +674,7 @@ lib/libRDKitga.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdMolTransforms.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdPartialCharges.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdRGroupDecomposition.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdRascalMCES.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdReducedGraphs.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdSLNParse.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdShapeHelpers.so