[ubuntu/zesty-proposed] rdkit 201603.5-2 (Accepted)
Graham Inggs
graham at nerve.org.za
Mon Nov 7 19:07:34 UTC 2016
rdkit (201603.5-2) unstable; urgency=medium
* Team upload.
* debian/control (Build-Depends): Added pandoc and
texlive-generic-extra. (Closes: #831264)
* debian/rules (override_dh_auto_configure): Added
-DRDK_OPTIMIZE_NATIVE=OFF to prevent FTBFS on ppc64el.
rdkit (201603.5-1) unstable; urgency=medium
* New upstream release. New features include:
- Addition of parsers/writers for sequence notation, FASTA, and basic HELM
- Improved conformation generation based on experimental torsional
parameters
- Much better filtering of generated conformations to ensure they
match the chirality of the input structure
- New method for enumerating molecular resonance structures
- Addition of a molecular FilterCatalog data structure
[ Daniel Leidert ]
* debian/compat: Raised to level 9.
* debian/control (Build-Depends): Switched to dh-python (closes: #786180).
(Standards-Version): Bumped to 3.9.6.
(Depends): Dropped python-numpy and let dh_numpy handle this.
* debian/rules: Added override for dh_python2 and call dh_numpy.
* debian/watch: Updated after project moved to Github.
* debian/patches/series: Added.
[ Michael Banck ]
* debian/rules (override_dh_auto_clean): No longer remove
Code/RDGeneral/versions.h, this is shipped upstream now.
* debian/rdkit-doc.install: Removed, no longer needed.
* debian/rules (override_dh_installchangelogs): Update for new ReleaseNotes
extension.
* debian/rules (override_dh_auto_clean): Added Code/RDGeneral/versions.cpp
and auto-generated restructed-text source files.
Date: 2016-11-07 16:23:11.395040+00:00
Signed-By: Graham Inggs <graham at nerve.org.za>
https://launchpad.net/ubuntu/+source/rdkit/201603.5-2
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