-
avogadrolibs (1.95.1-8) unstable; urgency=medium
* Team upload.
* debian/patches/fix_bond_centric_and_manipulator_tool.patch: Add missing
upstream commit c47d00c to patch, thanks to Aritz Erkiaga.
-- Michael Banck <email address hidden> Sat, 26 Feb 2022 14:15:45 +0100
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avogadrolibs (1.95.1-7) unstable; urgency=medium
* Team upload.
* debian/patches/fix_bond_centric_and_manipulator_tool.patch: New patch,
fixes the bond centric and manipulation tools, taken from upstream commits
15fe8df and 64f62a4 from pull request #825 and thanks to Aritz Erkiaga.
Closes: #1005006, #1006184.
-- Michael Banck <email address hidden> Fri, 25 Feb 2022 08:07:31 +0100
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avogadrolibs (1.95.1-6build1) jammy; urgency=medium
* No-change rebuild with Python 3.10 as default version
-- Graham Inggs <email address hidden> Sat, 15 Jan 2022 08:34:12 +0000
-
avogadrolibs (1.95.1-6) unstable; urgency=medium
* revert Build-Depends: python3:any | ... dh-sequence-python3
from 1.95.1-1. The lintian error was incorrect, see Bug#995981.
Build with default python only since build uses cmake not pybuild.
Closes: #998469.
-- Drew Parsons <email address hidden> Thu, 25 Nov 2021 13:07:01 +0100
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avogadrolibs (1.95.1-5build1) jammy; urgency=medium
* No-change rebuild with fixed py3versions
-- Graham Inggs <email address hidden> Sat, 06 Nov 2021 08:25:18 +0000
-
avogadrolibs (1.95.1-5) unstable; urgency=medium
* add molequeue support
- adds quantum chemical input support (cp2k, gamess)
- drop debian patch drop_cp2kinput.patch
- Build-Depends: molequeue, libmolequeue-dev,
libavogadro2-1 Recommends: molequeue.
molequeue is used by libAvogadroMoleQueue.so.1 when available,
avogadrolibs tests use libmolequeue-dev for molequeue cmake scripts
- debian patch molequeue_system.patch builds against system
molequeue instead of vendored molequeue client headers.
* add qtgui tests in debian/tests
- debian patch fix_test_qtgui.patch fixes linked libraries in
tests/qtgui
-- Drew Parsons <email address hidden> Fri, 15 Oct 2021 22:42:02 +0200
-
avogadrolibs (1.94.0-6) experimental; urgency=medium
* debian patches insert_crystals_PR658.patch and
insert_crystals_PR659.patch apply upstream PR#658 and PR#659
to activate Insert Fragment for crystals.
* debian patch fix_SMILES_PR661.patch fixes random failure to insert
SMILES molecules. Note 'H' is not supported in the SMILES format.
-- Drew Parsons <email address hidden> Fri, 09 Jul 2021 18:24:16 +0200
