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(8.16.1/8.16.1) with ESMTP id 22T0csQm029413; Tue, 29 Mar 2022 00:38:54 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 22T0csLd029412; Tue, 29 Mar 2022 00:38:54 GMT (envelope-from git) 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 Subject: git: c6c5777f8cdf - main - science/rdkit: Update 2021.09.5 -> 2022.03.1 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: c6c5777f8cdfea323b78a7c6e9db78bfae1972c6 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1648514335; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=v6cPg9gJArsIBQcfw4uyknbbpnWBZmieOl5Fuc0a6Vk=; b=GTJl4/x9z/xMo5WPmsE8HrmH1d4RBGZ2j/Q4/Hnbex2JZ4m+zGq6ayUV8itDedpyBSQubW 5W6vnhXHI8SBgYPH4t3BP9sPUAJ7E36nCYLF6Qlhf3foyk29RwG9l44tOWQr+9dH837ZhT L+OF614uGmHshZ1szQq5gLDvDfPp1ukjdwnYhoCKnolC5EZaidfMGvtD8DwhRLsHFrHjGI x3hFdVX8+sQ3QNrDlqscot4goomkgO8ov4ELlVCteBgbSCl7cx4lK93DCfLbNp7UEcVGZE 4OYtw/AiUJ+ruxsDj/iDNquWSlor+c0Zvm9rf4qz10A9EMob1orVAeQcdFZ23g== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1648514335; a=rsa-sha256; cv=none; b=t0toIiQnCAJ6wri9OeiBXmLufIEseG6G8GuC8VEBAs3qfifQh1Db6OPMx+tuskdf9NYdrs ULIDfLNlWbvy4UNEB/xRUHDxA+gmNyf99JO32War8hiqEvc3i4zvQtPeYVcXMBUBqVgc1q aDpTCMMZPapR5zDjRp+EQAUS7CUs69n4uDKLSi9nLvneiL7j2fUC390hnsS/knAiiwOpah s7fCkoMKf4rgy28eaqUW6n2UFAy7aj8rVAMQw4/fk/4u6SWBUfDjsAEvkIp7dziqQe+c9G O02JU3BO0Prq/Sj0+wqYDwSlyMVwpv1PFdTyBsBdPF+MOVnPERPZxr8bc6dGvQ== ARC-Authentication-Results: i=1; mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=c6c5777f8cdfea323b78a7c6e9db78bfae1972c6 commit c6c5777f8cdfea323b78a7c6e9db78bfae1972c6 Author: Yuri Victorovich AuthorDate: 2022-03-29 00:06:28 +0000 Commit: Yuri Victorovich 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