diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-15 22:24:39 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-15 22:50:01 +0000 |
| commit | 7956546fbe612962edff169ef41ded1a33c1f03e (patch) | |
| tree | 7d8ce70c1e0cc79f12575d563cc84fbc5e263a59 | |
| parent | 4e5dc5bea801dba468e8ed45e26501743984d65c (diff) | |
| download | ports-7956546fbe612962edff169ef41ded1a33c1f03e.tar.gz ports-7956546fbe612962edff169ef41ded1a33c1f03e.zip | |
science/rdkit: Update 2021.03.5 -> 2021.09.4
PR: 261223
Reported by: diizzy@
| -rw-r--r-- | science/rdkit/Makefile | 3 | ||||
| -rw-r--r-- | science/rdkit/distinfo | 14 | ||||
| -rw-r--r-- | science/rdkit/pkg-plist | 19 |
3 files changed, 18 insertions, 18 deletions
diff --git a/science/rdkit/Makefile b/science/rdkit/Makefile index 2868887af376..732ddc6a73a7 100644 --- a/science/rdkit/Makefile +++ b/science/rdkit/Makefile @@ -1,7 +1,6 @@ PORTNAME= rdkit DISTVERSIONPREFIX= Release_ -DISTVERSION= 2021_03_5 -PORTREVISION= 1 +DISTVERSION= 2021_09_4 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 cb80fcfb30f2..9d1e8206a72c 100644 --- a/science/rdkit/distinfo +++ b/science/rdkit/distinfo @@ -1,7 +1,7 @@ -TIMESTAMP = 1629948497 -SHA256 (rdkit-2021.03.5/Comic_Neue.zip) = 9f254e5cd219c1aa9b1f18e73c2588d8cd8587ac16997eeff9adb0d556fa6461 -SIZE (rdkit-2021.03.5/Comic_Neue.zip) = 179735 -SHA256 (rdkit-2021.03.5/rdkit-rdkit-Release_2021_03_5_GH0.tar.gz) = ee7ed4189ab03cf805ab9db59121ab3ebcba4c799389d053046d7cab4dd8401e -SIZE (rdkit-2021.03.5/rdkit-rdkit-Release_2021_03_5_GH0.tar.gz) = 78195566 -SHA256 (rdkit-2021.03.5/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715 -SIZE (rdkit-2021.03.5/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931 +TIMESTAMP = 1642282565 +SHA256 (rdkit-2021.09.4/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5 +SIZE (rdkit-2021.09.4/Comic_Neue.zip) = 180686 +SHA256 (rdkit-2021.09.4/rdkit-rdkit-Release_2021_09_4_GH0.tar.gz) = ce192e85bbdc1dcf24d327197229099c8625ee20ef022fcbd980791fdbfc7203 +SIZE (rdkit-2021.09.4/rdkit-rdkit-Release_2021_09_4_GH0.tar.gz) = 78474802 +SHA256 (rdkit-2021.09.4/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715 +SIZE (rdkit-2021.09.4/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931 diff --git a/science/rdkit/pkg-plist b/science/rdkit/pkg-plist index a1d51f03145b..59fdb2622d46 100644 --- a/science/rdkit/pkg-plist +++ b/science/rdkit/pkg-plist @@ -625,6 +625,7 @@ 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_SITELIBDIR%%/rdkit/Chem/nbtests/github4823.ipynb %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdAbbreviations.so %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdCIPLabeler.so %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/Chem/rdChemReactions.so @@ -930,7 +931,6 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/sping/util/HTMLPiddler.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/sping/util/__init__.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/sping/utils.py -%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/12h.gif %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/__init__.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/cactvs.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/chemdraw.py @@ -941,9 +941,6 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/listutils.py %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/retest.txt %%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/spiral.py -%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/test1.gif -%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/test2.gif -%%PYTHON%%%%PYTHON_SITELIBDIR%%/rdkit/utils/test3.gif %%DATADIR%%/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py %%DATADIR%%/Contrib/CMakeLists.txt %%DATADIR%%/Contrib/CalcLigRMSD/CalcLigRMSD.py @@ -1005,6 +1002,15 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%DATADIR%%/Contrib/Fastcluster/testdata/cdk2.sdf %%DATADIR%%/Contrib/Fastcluster/testdata/converted.smi %%DATADIR%%/Contrib/Fastcluster/testdata/sdf2smi.py +%%DATADIR%%/Contrib/FreeWilson/README.md +%%DATADIR%%/Contrib/FreeWilson/data/CHEMBL2321810.smi +%%DATADIR%%/Contrib/FreeWilson/data/CHEMBL2321810_act.csv +%%DATADIR%%/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol +%%DATADIR%%/Contrib/FreeWilson/freewilson.py +%%DATADIR%%/Contrib/FreeWilson/pytest.ini +%%DATADIR%%/Contrib/FreeWilson/requirements.txt +%%DATADIR%%/Contrib/FreeWilson/setup.py +%%DATADIR%%/Contrib/FreeWilson/test/test_freewilson.py %%DATADIR%%/Contrib/Glare/README.txt %%DATADIR%%/Contrib/Glare/glare.py %%DATADIR%%/Contrib/IFG/README @@ -1111,11 +1117,6 @@ lib/libRDKitga.so.1.%%SHLIB_VER%% %%DATADIR%%/Data/FragmentDescriptors.csv %%DATADIR%%/Data/FunctionalGroups.txt %%DATADIR%%/Data/Functional_Group_Hierarchy.txt -%%DATADIR%%/Data/MolStandardize/acid_base_pairs.txt -%%DATADIR%%/Data/MolStandardize/acid_base_pairs2.txt -%%DATADIR%%/Data/MolStandardize/fragmentPatterns.txt -%%DATADIR%%/Data/MolStandardize/normalizations.txt -%%DATADIR%%/Data/MolStandardize/tautomerTransforms.in %%DATADIR%%/Data/NCI/first_200.props.sdf %%DATADIR%%/Data/NCI/first_200.tpsa.csv %%DATADIR%%/Data/NCI/first_5K.smi |