Review: python-openclatura 0.3.1+ds-1
Package Information
| 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. |
|---|---|
| Maintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| Changed By | Andrius Merkys <merkys@debian.org> |
| Distribution | unstable |
| Architecture | all |
| VCS | git: https://salsa.debian.org/debichem-team/python-openclatura.git (browse) |
| Closes | #1146380 |
| Tracker | https://tracker.debian.org/pkg/python-openclatura |
| Uploaded | 21 days ago |
New Package Report
.changes
| Changed-By | Andrius Merkys |
|---|---|
| Architecture | source all |
| Distribution | unstable |
| Date | Mon, 31 Aug 2026 06:45:07 -0400 |
| Source | python-openclatura |
| Version | 0.3.1+ds-1 |
Changelog
python-openclatura (0.3.1+ds-1) unstable; urgency=medium . * Initial release. (Closes: #1146380)
.dsc
| Component | main |
|---|---|
| Package-List | python3-openclatura deb science optional arch=all |
| Section | science |
| Priority | optional |
debian/copyright
Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ Source: https://github.com/lamalab-org/openclatura Upstream-Name: openclatura Upstream-Contact: https://github.com/lamalab-org/openclatura/issues Files-Excluded: evaluations website Files: * Copyright: 2026, lamalab-org License: Expat Files: debian/* Copyright: 2026, Andrius Merkys <merkys@debian.org> License: Expat License: Expat Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: . The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. . THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Review Information
accepted — allocated to mechtilde 20 days ago, started 20 days ago, completed 20 days ago.