Date: Tue, 29 Mar 2022 00:38:54 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: c6c5777f8cdf - main - science/rdkit: Update 2021.09.5 -> 2022.03.1 Message-ID: <202203290038.22T0csLd029412@gitrepo.freebsd.org>
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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
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