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rdkit_201909.1-1_amd64.changes (click to toggle)
Format:1.8
Date:Sun, 03 Nov 2019 06:55:15 +0100
Source:rdkit
Binary:librdkit-dev librdkit1 librdkit1-dbgsym postgresql-12-rdkit postgresql-12-rdkit-dbgsym python3-rdkit python3-rdkit-dbgsym rdkit-data rdkit-doc
Architecture:source amd64 all
Version:201909.1-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Michael Banck <mbanck@debian.org>
Description:
librdkit-dev - Collection of cheminformatics and machine-learning software (deve
librdkit1  - Collection of cheminformatics and machine-learning software (shar
postgresql-12-rdkit - Cheminformatics and machine-learning software (PostgreSQL Cartrid
python3-rdkit - Collection of cheminformatics and machine-learning software
rdkit-data - Collection of cheminformatics and machine-learning software (data
rdkit-doc  - Collection of cheminformatics and machine-learning software (docu
Changes:
rdkit (201909.1-1) unstable; urgency=medium

  * New upstream release.
  * debian/control: Update extension to postgresql-12-rdkit.
  * debian/patches/postgres_Makefile_fixes.patch: Updated for llvm9.
  * debian/patches/postgres_alternative_test_outputs.patch: New patch, adds
    alternative regression tests outputs for PostgreSQL 12.
Files:
32c882b72ffe219d87b8c9b8ac4c855c 2809 science optional rdkit_201909.1-1.dsc
12f50b753b13cb46a61ee9965f07778e 52504264 science optional rdkit_201909.1.orig.tar.xz
5cc6d1c5d2f0d5e618abbae0dcf29ce6 99508 science optional rdkit_201909.1-1.debian.tar.xz
00252a97b2767804584ec76bff57e50d 322848 libdevel optional librdkit-dev_201909.1-1_amd64.deb
f0ee06ac93076f250dc6e5de78b951fe 83982900 debug optional librdkit1-dbgsym_201909.1-1_amd64.deb
b17f702b4a98272924cdf004adbb1690 3149392 libs optional librdkit1_201909.1-1_amd64.deb
21a4b4a72cda9af92880607c6256eafb 1166956 debug optional postgresql-12-rdkit-dbgsym_201909.1-1_amd64.deb
fdd4d1e04a68b4c4dcbd5c73dcfdc9c0 455372 database optional postgresql-12-rdkit_201909.1-1_amd64.deb
785eef4fa780aab49c97bdf0b3697c4d 57174472 debug optional python3-rdkit-dbgsym_201909.1-1_amd64.deb
1d9a9820892dc13cbc86feae176d284c 3022496 python optional python3-rdkit_201909.1-1_amd64.deb
7a4e54f356845e28d2cf68c4ea44a272 6779120 science optional rdkit-data_201909.1-1_all.deb
3de3d3411c4eca59e457f61aec8852fb 5273456 doc optional rdkit-doc_201909.1-1_all.deb
857c40c8b4ec9e9e61d6919ac34c8dc7 16357 science optional rdkit_201909.1-1_amd64.buildinfo
control file for librdkit1-dbgsym_201909.1-1_amd64.deb (click to toggle)
Package:librdkit1-dbgsym
Source:rdkit
Version:201909.1-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:85570
Depends:librdkit1 (=201909.1-1)
Section:debug
Priority:optional
Description:
debug symbols for librdkit1
Build-Ids:00f65d89c79b1382dbd8dfc0b6f2de7f31a72002 06c88ae16dbb4f78fac2517a7537816dbb90b9b4 07a106b7a89df44a8bbe59ed3fabc4028eb74016 1051c1f4b7a00e3a5a013e5f724d4968ed5b2aee 1c29ad261064f04571f2c866ba749855cae1a2ae 21a0619a64589509eaab3596d660244181dec405 3614a39fa328a728f3ac2ffc8f0992f75de49b08 39469940af64c3e170194f4e5f651c0391e49d8c 3ee813c9f72311f7910987ce6246e842f0334f4b 3fd6e84a9bef15b447c00d6493696c4d1a8d5ff6 4126c044523b81e2c3143184bb4db686561d9f57 4282eff52e6e83663c8c1c617e7a1142eaca36ae 439b6a14477bd09790f54d092f5f90674e52ca5f 43ad63057297fab68e425e6b1f0ff9d9e016b01c 44a683fc0f7dd531649e80e9f40c10c20e5a8f55 4565bfe070f881c452dabb2e113d9e8eafad3c28 4cce3d99de077ab5d8e12ba580112ac692e2aa76 4e373a4498d45439ab0d685a562230cb5615e2e4 54f7c075a3e3593e1462f51c9df4deef53fc0ae3 6260712c4bede2877913f8bdd86d839933332609 660ceb5db5398a67a245744c35e04a25c6bebefb 670c83f599efdd106db79d73a4c89903d7b2763e 67a0a4f99dbf345f790d4b5303d0c8f647511680 69740bc64485cf785c6893711eb4f5cc3ab0ff5c 76049ae3a1541c30a962aca24c1bc7ad6b73103b 7c215314a11dd610d8956cd02d045126709d9c6e 7c715da15f48648af412f6456e528b80df826d02 80da2c70c474f7be181bc4588668044318345afd 89d7a777b025bea61d7cb6791dde52469435620d 8d6cd468b0716f6c47203b1440fe5b8cb4648213 8dd526da33e3897ae4bf4e1bbc5219895400248d 9224f9dfd6c8a1015602f8ef24fff9ed02feecd4 9dde781526f915ccbb3663527ba99c020cc9c823 a7b1309594e32812aef30beeeeb0364dae674c38 a971a60cfad225b90bd7f92dc521fd0099b75646 aacce89f305a45940abfde61cf82cc8268d7f484 afcbdc7ea7cb7ffc5cc0fecfe4166ea8ac894136 b92b0bf97e06801e7502a6b45a2ca5a743747d9c bf1df99a61a1e3b2801cdc8c2d8555e813b7f652 c8c4c4b47fce64510b8b643cc1a1f5b84077fe03 d3b6df8ba03da6b12eace107abf2e8939416c433 d683f8711064aea454afc0a94ac6987724a4c4b5 db1fb602c6b5f6bc8abdbb2de51848dbd57f81aa dcae0f9ef657925ee1432b2f0a715feaaf3ef57d e35847bf91fe8c107ff850dd481e2eb2eb964d19 ec118f953aeebf5f0662c318621733f89ffdc49d f2fd802412bbee0df055feb14d75126d797c781d fe2941c335ef5497d41cb8cf955e29b21d7664bf fe8dedb9c5d75c57a37a8d86cb7e0dfd186f231c
lintian 2.29.0~bpo9+1 check for librdkit1-dbgsym_201909.1-1_amd64.deb (click to toggle)
contents of librdkit1-dbgsym_201909.1-1_amd64.deb (click to toggle)
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lrwxrwxrwx root/root         0 2019-11-03 05:55 ./usr/share/doc/librdkit1-dbgsym -> librdkit1
control file for postgresql-12-rdkit_201909.1-1_amd64.deb (click to toggle)
Package:postgresql-12-rdkit
Source:rdkit
Version:201909.1-1
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:1067
Depends:libc6 (>=2.14), libgcc1 (>=1:3.0), librdkit1, libstdc++6 (>=9), postgresql-12
Section:database
Priority:optional
Homepage:http://www.rdkit.org
Description:
Cheminformatics and machine-learning software (PostgreSQL Cartridge)
 RDKit is a Python/C++ based cheminformatics and machine-learning software
 environment.  Features Include:
 .
  * Chemical reaction handling and transforms
  * Substructure searching with SMARTS
  * Canonical SMILES
  * Molecule-molecule alignment
  * Large number of molecular descriptors, including topological,
    compositional, EState, SlogP/SMR, VSA and Feature-map vectors
  * Fragmentation using RECAP rules
  * 2D coordinate generation and depiction, including constrained depiction
  * 3D coordinate generation using geometry embedding
  * UFF and MMFF94 forcefields
  * Chirality support, including calculation of (R/S) stereochemistry codes
  * 2D pharmacophore searching
  * Fingerprinting, including Daylight-like, atom pairs, topological
    torsions, Morgan algorithm and MACCS keys
  * Calculation of shape similarity
  * Multi-molecule maximum common substructure
  * Machine-learning via clustering and information theory algorithms
  * Gasteiger-Marsili partial charge calculation
 .
 File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit
 binary format.
 .
 This package contains the PostgreSQL extension.
lintian 2.29.0~bpo9+1 check for postgresql-12-rdkit_201909.1-1_amd64.deb (click to toggle)
contents of postgresql-12-rdkit_201909.1-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2019-11-03 05:55 ./
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drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/lib/postgresql/
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drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/lib/postgresql/12/lib/
drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/lib/postgresql/12/lib/bitcode/
drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/lib/postgresql/12/lib/bitcode/rdkit/
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control file for postgresql-12-rdkit-dbgsym_201909.1-1_amd64.deb (click to toggle)
Package:postgresql-12-rdkit-dbgsym
Source:rdkit
Version:201909.1-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:1228
Depends:postgresql-12-rdkit (=201909.1-1)
Section:debug
Priority:optional
Description:
debug symbols for postgresql-12-rdkit
Build-Ids:d7f0e3dd5ec613c6ea1a9bc58d2953d124b53ffb
lintian 2.29.0~bpo9+1 check for postgresql-12-rdkit-dbgsym_201909.1-1_amd64.deb (click to toggle)
contents of postgresql-12-rdkit-dbgsym_201909.1-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2019-11-03 05:55 ./
drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/
drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/lib/
drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/lib/debug/
drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/lib/debug/.build-id/
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drwxr-xr-x root/root         0 2019-11-03 05:55 ./usr/share/doc/
lrwxrwxrwx root/root         0 2019-11-03 05:55 ./usr/share/doc/postgresql-12-rdkit-dbgsym -> postgresql-12-rdkit
control file for python3-rdkit-dbgsym_201909.1-1_amd64.deb (click to toggle)
Package:python3-rdkit-dbgsym
Source:rdkit
Version:201909.1-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:62689
Depends:python3-rdkit (=201909.1-1)
Section:debug
Priority:optional
Description:
debug symbols for python3-rdkit
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Python-Version:3.7
lintian 2.29.0~bpo9+1 check for python3-rdkit-dbgsym_201909.1-1_amd64.deb (click to toggle)
contents of python3-rdkit-dbgsym_201909.1-1_amd64.deb (click to toggle)
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lrwxrwxrwx root/root         0 2019-11-03 05:55 ./usr/share/doc/python3-rdkit-dbgsym -> python3-rdkit

Timestamp: 03.11.2019 / 20:16:24 (UTC)