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Date: Tue, 29 Mar 2022 00:38:54 GMT
Message-Id: <202203290038.22T0csLd029412@gitrepo.freebsd.org>
To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org,
dev-commits-ports-main@FreeBSD.org
From: Yuri Victorovich <yuri@FreeBSD.org>
Subject: git: c6c5777f8cdf - main - science/rdkit: Update 2021.09.5 -> 2022.03.1
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The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=c6c5777f8cdfea323b78a7c6e9db78bfae1972c6
commit c6c5777f8cdfea323b78a7c6e9db78bfae1972c6
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-03-29 00:06:28 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-03-29 00:38:48 +0000
science/rdkit: Update 2021.09.5 -> 2022.03.1
Reported by: portscout
---
science/rdkit/Makefile | 2 +-
science/rdkit/distinfo | 14 +++++++-------
science/rdkit/pkg-plist | 14 ++++++++------
3 files changed, 16 insertions(+), 14 deletions(-)
diff --git a/science/rdkit/Makefile b/science/rdkit/Makefile
index 60a67c52b210..5955a1aa4706 100644
--- a/science/rdkit/Makefile
+++ b/science/rdkit/Makefile
@@ -1,6 +1,6 @@
PORTNAME= rdkit
DISTVERSIONPREFIX= Release_
-DISTVERSION= 2021_09_5
+DISTVERSION= 2022_03_1
CATEGORIES= science
MASTER_SITES= https://fonts.google.com/download?family=Comic%20Neue&dummy=/:font
DISTFILES= Comic_Neue.zip:font
diff --git a/science/rdkit/distinfo b/science/rdkit/distinfo
index 68ede7312213..2206e854b4a0 100644
--- a/science/rdkit/distinfo
+++ b/science/rdkit/distinfo
@@ -1,7 +1,7 @@
-TIMESTAMP = 1646530099
-SHA256 (rdkit-2021.09.5/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5
-SIZE (rdkit-2021.09.5/Comic_Neue.zip) = 180686
-SHA256 (rdkit-2021.09.5/rdkit-rdkit-Release_2021_09_5_GH0.tar.gz) = f720b3f6292c4cd0a412a073d848ffac01a43960082e33ee54b68798de0cbfa1
-SIZE (rdkit-2021.09.5/rdkit-rdkit-Release_2021_09_5_GH0.tar.gz) = 78481014
-SHA256 (rdkit-2021.09.5/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715
-SIZE (rdkit-2021.09.5/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931
+TIMESTAMP = 1648501898
+SHA256 (rdkit-2022.03.1/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5
+SIZE (rdkit-2022.03.1/Comic_Neue.zip) = 180686
+SHA256 (rdkit-2022.03.1/rdkit-rdkit-Release_2022_03_1_GH0.tar.gz) = 9ded69eeb38a91bd09cd5d5dc69e7f1f87e1412ab8beef29207988fb81dfd5f5
+SIZE (rdkit-2022.03.1/rdkit-rdkit-Release_2022_03_1_GH0.tar.gz) = 78560198
+SHA256 (rdkit-2022.03.1/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715
+SIZE (rdkit-2022.03.1/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931
diff --git a/science/rdkit/pkg-plist b/science/rdkit/pkg-plist
index 59fdb2622d46..9f3b100ad4c4 100644
--- a/science/rdkit/pkg-plist
+++ b/science/rdkit/pkg-plist
@@ -163,6 +163,7 @@ 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/GenericGroups/GenericGroups.h
include/rdkit/GraphMol/GraphMol.h
include/rdkit/GraphMol/MMPA/MMPA.h
include/rdkit/GraphMol/MolAlign/AlignMolecules.h
@@ -175,13 +176,8 @@ include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h
-include/rdkit/GraphMol/MolDraw2D/DrawText.h
-include/rdkit/GraphMol/MolDraw2D/DrawTextFT.h
-include/rdkit/GraphMol/MolDraw2D/DrawTextFTJS.h
-include/rdkit/GraphMol/MolDraw2D/DrawTextFTSVG.h
-include/rdkit/GraphMol/MolDraw2D/DrawTextJS.h
-include/rdkit/GraphMol/MolDraw2D/DrawTextSVG.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h
+include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h
@@ -388,6 +384,9 @@ lib/libRDKitForceFieldHelpers.so.1.%%SHLIB_VER%%
lib/libRDKitFragCatalog.so
lib/libRDKitFragCatalog.so.1
lib/libRDKitFragCatalog.so.1.%%SHLIB_VER%%
+lib/libRDKitGenericGroups.so
+lib/libRDKitGenericGroups.so.1
+lib/libRDKitGenericGroups.so.1.%%SHLIB_VER%%
lib/libRDKitGraphMol.so
lib/libRDKitGraphMol.so.1
lib/libRDKitGraphMol.so.1.%%SHLIB_VER%%
@@ -513,6 +512,7 @@ lib/libRDKitga.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Descriptors3D.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Draw/FreeSans.ttf
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Draw/IPythonConsole.py
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Draw/InteractiveRenderer.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Draw/MolDrawing.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Draw/SimilarityMaps.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Draw/__init__.py
@@ -625,7 +625,9 @@ lib/libRDKitga.so.1.%%SHLIB_VER%%
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/fmcs/fmcs
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/fmcs/fmcs.py
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/inchi.py
+%%PYTHON%%%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/nbtests/ChEMBL_quinolones.tsv
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/nbtests/github4823.ipynb
+%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdAbbreviations.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdCIPLabeler.so
%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdChemReactions.so