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ESMTPS id 4QlvBq1bW9z17cq; Tue, 20 Jun 2023 17:44:03 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.16.1/8.16.1) with ESMTP id 35KHi3q8076279; Tue, 20 Jun 2023 17:44:03 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 35KHi3Ug076278; Tue, 20 Jun 2023 17:44:03 GMT (envelope-from git) Date: Tue, 20 Jun 2023 17:44:03 GMT Message-Id: <202306201744.35KHi3Ug076278@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: fc0ecf7cbc08 - main - =?utf-8?Q?science/rdkit:=20Update=202022_03_5=20=E2=86=92=202023_03_2?= 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: fc0ecf7cbc080f2a3fc646ea8c7407989851b950 Auto-Submitted: auto-generated X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=fc0ecf7cbc080f2a3fc646ea8c7407989851b950 commit fc0ecf7cbc080f2a3fc646ea8c7407989851b950 Author: Yuri Victorovich AuthorDate: 2023-06-20 17:43:40 +0000 Commit: Yuri Victorovich CommitDate: 2023-06-20 17:44:00 +0000 science/rdkit: Update 2022_03_5 → 2023_03_2 Reported by: portscout --- science/rdkit/Makefile | 8 +++----- science/rdkit/distinfo | 14 +++++++------- science/rdkit/pkg-plist | 16 ++++++++++++++++ 3 files changed, 26 insertions(+), 12 deletions(-) diff --git a/science/rdkit/Makefile b/science/rdkit/Makefile index d72d1dc7f2ee..3ceef969e64f 100644 --- a/science/rdkit/Makefile +++ b/science/rdkit/Makefile @@ -1,7 +1,6 @@ PORTNAME= rdkit DISTVERSIONPREFIX= Release_ -DISTVERSION= 2022_03_5 -PORTREVISION= 4 +DISTVERSION= 2023_03_2 CATEGORIES= science MASTER_SITES= https://fonts.google.com/download?family=Comic%20Neue&dummy=/:font DISTFILES= Comic_Neue.zip:font @@ -74,8 +73,7 @@ post-extract: @cd ${WRKSRC}/External/rapidjson-1.1.0 && ${LN} -s ${LOCALBASE}/include/rapidjson include @cd ${WRKSRC}/Data/Fonts && unzip ${DISTDIR}/${DIST_SUBDIR}/Comic_Neue.zip -post-stage: # https://github.com/rdkit/rdkit/issues/2094 - #@${MKDIR} ${STAGEDIR}${PREFIX}/lib/cmake - #@${MV} ${STAGEDIR}${PREFIX}/lib/*.cmake ${STAGEDIR}${PREFIX}/lib/cmake +post-install-PGSQL-on: + @${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/postgresql/rdkit.so .include diff --git a/science/rdkit/distinfo b/science/rdkit/distinfo index ccbae4ddac48..c2f402b6a6e8 100644 --- a/science/rdkit/distinfo +++ b/science/rdkit/distinfo @@ -1,7 +1,7 @@ -TIMESTAMP = 1659845407 -SHA256 (rdkit-2022.03.5/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5 -SIZE (rdkit-2022.03.5/Comic_Neue.zip) = 180686 -SHA256 (rdkit-2022.03.5/rdkit-rdkit-Release_2022_03_5_GH0.tar.gz) = 38e6fb9f063b6132310f17e654f2c4350876f9164b0a17b49fe3df7d0555a744 -SIZE (rdkit-2022.03.5/rdkit-rdkit-Release_2022_03_5_GH0.tar.gz) = 78574051 -SHA256 (rdkit-2022.03.5/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715 -SIZE (rdkit-2022.03.5/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931 +TIMESTAMP = 1687244203 +SHA256 (rdkit-2023.03.2/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5 +SIZE (rdkit-2023.03.2/Comic_Neue.zip) = 180686 +SHA256 (rdkit-2023.03.2/rdkit-rdkit-Release_2023_03_2_GH0.tar.gz) = bb43216b075b93b767e6cbaecd5e95d087da887bcdc51afd36d940d8bd9f9819 +SIZE (rdkit-2023.03.2/rdkit-rdkit-Release_2023_03_2_GH0.tar.gz) = 79462770 +SHA256 (rdkit-2023.03.2/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715 +SIZE (rdkit-2023.03.2/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931 diff --git a/science/rdkit/pkg-plist b/science/rdkit/pkg-plist index 9f3b100ad4c4..b74d21d4f6c5 100644 --- a/science/rdkit/pkg-plist +++ b/science/rdkit/pkg-plist @@ -110,6 +110,7 @@ include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h include/rdkit/GraphMol/Descriptors/MolDescriptors.h include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h include/rdkit/GraphMol/Descriptors/MolSurf.h +include/rdkit/GraphMol/Descriptors/OxidationNumbers.h include/rdkit/GraphMol/Descriptors/PBF.h include/rdkit/GraphMol/Descriptors/PMI.h include/rdkit/GraphMol/Descriptors/Property.h @@ -121,6 +122,7 @@ include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h include/rdkit/GraphMol/DistGeomHelpers/Embedder.h include/rdkit/GraphMol/FMCS/FMCS.h include/rdkit/GraphMol/FMCS/Graph.h +include/rdkit/GraphMol/FileParsers/CDXMLParser.h include/rdkit/GraphMol/FileParsers/FileParserUtils.h include/rdkit/GraphMol/FileParsers/FileParsers.h include/rdkit/GraphMol/FileParsers/GeneralFileReader.h @@ -220,6 +222,7 @@ include/rdkit/GraphMol/QueryOps.h include/rdkit/GraphMol/RDKitBase.h include/rdkit/GraphMol/RDKitQueries.h 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/ReducedGraphs/ReducedGraphs.h @@ -489,6 +492,7 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%LITTLE_ENDIAN%%lib/libRDKithc.so %%LITTLE_ENDIAN%%lib/libRDKithc.so.1 %%LITTLE_ENDIAN%%lib/libRDKithc.so.1.%%SHLIB_VER%% +%%PGSQL%%lib/postgresql/rdkit.so %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Avalon/__init__.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/AllChem.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/AtomPairs/Pairs.py @@ -582,6 +586,7 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/validate.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolStandardize/validations.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/MolSurf.py +%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/PandasPatcher.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/PandasTools.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Pharm2D/Generate.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py @@ -600,6 +605,7 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Randomize.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Recap.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/ReducedGraphs.py +%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/RegistrationHash.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SATIS.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/SaltRemover.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/Scaffolds/MurckoScaffold.py @@ -1115,6 +1121,8 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%DATADIR%%/Data/Fonts/OFL.txt %%DATADIR%%/Data/Fonts/Telex-Regular.ttf %%DATADIR%%/Data/Fonts/amadeus_font_license.txt +%%DATADIR%%/Data/Fonts/font_dumper.py +%%DATADIR%%/Data/Fonts/roboto_regular_license.txt %%DATADIR%%/Data/Fonts/telex_font_license.txt %%DATADIR%%/Data/FragmentDescriptors.csv %%DATADIR%%/Data/FunctionalGroups.txt @@ -1157,3 +1165,11 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%PYTHON%%%%DATADIR%%/Scripts/create_deb_packages.sh %%PYTHON%%%%DATADIR%%/Scripts/test.sh %%DATADIR%%/license.txt +%%PGSQL%%share/postgresql/extension/rdkit--3.8--4.0.sql +%%PGSQL%%share/postgresql/extension/rdkit--4.0--4.0.1.sql +%%PGSQL%%share/postgresql/extension/rdkit--4.0.1--4.1.sql +%%PGSQL%%share/postgresql/extension/rdkit--4.1--4.1.1.sql +%%PGSQL%%share/postgresql/extension/rdkit--4.1.1--4.2.sql +%%PGSQL%%share/postgresql/extension/rdkit--4.2--4.3.0.sql +%%PGSQL%%share/postgresql/extension/rdkit--4.3.0.sql +%%PGSQL%%share/postgresql/extension/rdkit.control