Your message dated Tue, 01 Sep 2026 17:00:50 +0000
with message-id <[email protected]>
and subject line Bug#1146380: fixed in python-openclatura 0.3.1+ds-1
has caused the Debian Bug report #1146380,
regarding ITP: python-openclatura -- deterministic converter from SMILES to
IUPAC chemical name
to be marked as done.
This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
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--
1146380: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1146380
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Package: wnpp
Owner: Andrius Merkys <[email protected]>
Severity: wishlist
* Package name : python-openclatura
Version : 0.3.1+ds
Upstream Author : lamalab-org
* URL : https://github.com/lamalab-org/openclatura
* License : Expat
Programming Lang: Python
Description : deterministic converter from SMILES to IUPAC
chemical name
openclatura names molecules the way the IUPAC Blue Book (2013) says to.
It walks the RDKit molecular graph, perceives functional groups and ring
systems, picks the principal parent, numbers it, and assembles the
substitutive name.
There is no model and no lookup table: the same structure always yields
the same name, and every choice along the way is recorded in a decision
trace, so the why of a name is recoverable and not just the what.
Remark: This package is to be maintained with Debian Python Team at
https://salsa.debian.org/python-team/packages/python-openclatura
--- End Message ---
--- Begin Message ---
Source: python-openclatura
Source-Version: 0.3.1+ds-1
Done: Andrius Merkys <[email protected]>
We believe that the bug you reported is fixed in the latest version of
python-openclatura, which is due to be installed in the Debian FTP archive.
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to [email protected],
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Andrius Merkys <[email protected]> (supplier of updated python-openclatura
package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing [email protected])
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Hash: SHA512
Format: 1.8
Date: Mon, 31 Aug 2026 06:45:07 -0400
Source: python-openclatura
Binary: python3-openclatura
Architecture: source all
Version: 0.3.1+ds-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <[email protected]>
Changed-By: Andrius Merkys <[email protected]>
Description:
python3-openclatura - deterministic converter from SMILES to IUPAC chemical
name
Closes: 1146380
Changes:
python-openclatura (0.3.1+ds-1) unstable; urgency=medium
.
* Initial release. (Closes: #1146380)
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