File avogadro.changes of Package avogadro
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Fri Feb 23 09:22:56 UTC 2024 - Dominique Leuenberger <dimstar@opensuse.org>
- Remove documentation installed by cmake: we package those files
using %doc.
- Do not recommend -lang package: the package already has relevant
supplements in place.
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Wed Dec 6 11:12:52 UTC 2023 - Atri Bhattacharya <badshah400@gmail.com>
- Update to version 1.98.1:
* Migrated typedefs and changed const to constexpr
(gh#OpenChemistry/avogadrolibs#1395)
* Fix Python module install dir
(gh#OpenChemistry/avogadrolibs#1413)
* Revert validation of filenames
(gh#OpenChemistry/avogadrolibs#1433).
* Parsing orca output would crash when swapping orbitals
(gh#OpenChemistry/avogadrolibs#1422)
* Maint: vtk: Add missing OpenGL link target
(gh#OpenChemistry/avogadrolibs#1412)
- Update avogadro-i18n source to 1.98.0.
- Requires avogadrolibs >= 1.98.0.
- Bump required cmake version to 3.24 as required by upstream.
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Thu Sep 15 17:34:53 UTC 2022 - Stefan Brüns <stefan.bruens@rwth-aachen.de>
- Update to 1.97.0
https://github.com/OpenChemistry/avogadroapp/releases/tag/1.97.0
Highlights:
* Adds molecular surfaces, solvent-accessible, and
solvent-excluded surfaces
* Adds support for a range of partial charge models, including
coloring electrostatic potentials on surfaces.
* This includes writing Python scripts to assign atomic charges
or electrostatic potential
* Adds improved hydrogen-bond, chalcogen, and halogen bond
rendering.
* Add improved close-contact and salt-bridge rendering
* Significantly improves interface translation, properly loading
translation files, and including a dialog to choose your
preferred user interface language
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Thu Oct 14 09:32:07 UTC 2021 - ecsos <ecsos@opensuse.org>
- Update to 1.95.1
* Bug Fixes
- Fix disabled Balls and Sticks rendering on a fresh install (#744)
- Fix for loading settings (#732)
- Add ... to all input generators to indicate opening a dialog (#743)
- Fix reference axes menu item (#705)
- Continue rendering cartoons even if residues aren't found (#736)
- Enable script formats like cclib to ask for bond perception on read (#738)
* Features
- Initial display-only property tables (#711)
- Improve selection tool for layers (#729)
* Maintenance
- Make sure to run tests in avogadrolibs (including some fix for test failures) (#739)
* Translations
- Translations update from Weblate (#721)
- Fix build error for Tumbleweed.
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Wed Aug 18 17:22:01 UTC 2021 - Ferdinand Thiessen <rpm@fthiessen.de>
- Update to 1.95.0
* New "Layer" system, including custom rendering,
locking and hiding parts of the molecule
* Atom and residue labels
* New protein cartoon / ribbon display
* Update render options for Wireframe and Ball-and-Sticks
* Add CJSON support for save/load residues and atom colors
* New View => Apply Colors menu
* Apply color schemes for residues
* Render selected atoms in VdW and licorice modes
* Save enabled / disabled state of scene / rendering plugins on quit
* Install all translations
- Add required i18n subpackage as source (OBS does not support
downloading on build time)
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Thu May 27 11:27:08 UTC 2021 - Ferdinand Thiessen <rpm@fthiessen.de>
- Update to 1.93.0
* A lot bug fixes and enhancements
* Build with QT5
- Drop upstream fixed:
* avogadro-port-to-eigen3.patch
* 0005-Link-with-libm.patch
* 0004-don-t-use-signbit-on-non-float.patch
* avogadro-1.1.0-avopkg-fix-echo.patch
* avogadro-boost.patch
* avogadro-opanbabel.patch
- Icon and desktop file are now provided by upstream, dopped our
versions
- Drop baselibs.conf, no libraries are installed (they are provided
by the avogadrolibs package)
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Tue Apr 2 12:55:33 UTC 2019 - Andreas Schwab <schwab@suse.de>
- Remove 0006-Fix-libmsym-libdir-for-64bit.patch and define
INSTALL_LIB_DIR and INSTALL_CMAKE_DIR via cmdline instead
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Tue Mar 26 13:29:27 UTC 2019 - Atri B <badshah400@gmail.com>
- Add avogadro-port-to-eigen3.patch: Pick commits from upstream
to get avogadro building with eigen3; replace libeigen2-devel
BuildRequires by eigen3-devel.
- Use cmake macros for build (%%cmake_build) and install
(%%cmake_install).
- Use autosetup to setup source and apply patches in one go.
- Minor specfile cleanups:
* Use %%license to package COPYING file.
* Do away with defattrs for file lists.
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Wed Mar 7 15:44:22 UTC 2018 - crrodriguez@opensuse.org
- Correct buildrequires so xorg-x11-devel is no longer
used.
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Sat Feb 3 21:34:03 UTC 2018 - wbauer@tmo.at
- Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2
to cmake to fix build on Tumbleweed
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Wed Dec 27 07:25:10 UTC 2017 - kkaempf@suse.com
- Update to 1.2.0
* Support for the ORCA quantum chemistry package, thanks to
Dagmar Lenk, including input generation and output parsing
* Improved support for MO calculations, including orbitals with F,
G, H, and I angular momentum, thanks to Dagmar Lenk
and Albert DeFusco
* Support for exporting VRML models of atoms, bonds, surfaces,
and orbitals (e.g. for 3D printing), thanks to Ethan Pavolik
* Support for perceiving molecular symmetry on Mac and Linux using
the libmsym library1 (i.e., Properties -> Symmetry),
thanks to Marcus Johansson
* Updated links to the new Avogadro website3, manual4,
and discussion forum
* Fixed support for compiling with the Eigen3 library up to
version 3.2.8
* Improved support for space groups through spglib1
* Updated translations1, now including over 25 languages in
addition to English
* Fixed a bug downloading from the Protein Data Bank
* Fixed a bug fetching molecules from the network, including
the "chemical by name"
* Fixed a bug when naming molecules from the NIH chemical
resolver website
- drop avogadro-cmake-3.2.patch, arm-qreal-vs-double.patch (upstream)
- add 0004-don-t-use-signbit-on-non-float.patch,
0005-Link-with-libm.patch, 0006-Fix-libmsym-libdir-for-64bit.patch
- fix package group: Productivity/Scientific/Chemistry
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Sat Dec 23 21:57:19 UTC 2017 - wbauer@tmo.at
- BuildRequire libboost_python-devel instead of boost-devel on
Tumbleweed to fix build
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Mon Mar 28 13:19:13 UTC 2016 - dvaleev@suse.com
- Fix buildfailure with openbabel (avogadro-opanbabel.patch)
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Thu Jan 7 14:06:44 UTC 2016 - idonmez@suse.com
- Add avogadro-boost.patch to fix build failures with boost 1.60.0
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Sat Apr 4 13:38:03 UTC 2015 - dmueller@suse.com
- add arm-qreal-vs-double.patch
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Tue Mar 24 16:11:06 UTC 2015 - sfalken@opensuse.org
- Added patch to fix building against cmake >= 3.2, libX11 is no
longer magically implied. (sf#avogadro/bugs/746)
+ avogadro-cmake-3.2.patch
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Sat Feb 14 18:32:00 UTC 2015 - Led <ledest@gmail.com>
- fix using 'echo' command in avopkg script
- add patches:
* avogadro-1.1.0-avopkg-fix-echo.patch
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Thu Dec 18 11:35:41 UTC 2014 - p.drouand@gmail.com
- Update to version 1.1.1
* Rudimentary support for retinal display Macs
* Support for manual adjustment of the view
* DNA/RNA builder
* Simple LAMMPS input generator for water
* PSI4 input generator added
* Fixed QTAIM to work on Windows
* Updated gl2ps snapshot
- Remove fixed patches
* avogadro-1.1.0-no-return-in-nonvoid-function.patch
* MopacAuxReaderFix.patch
* shlib-pic-flag.patch
- Use %cmake macro
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Thu Dec 18 11:35:41 UTC 2014 - p.drouand@gmail.com
- Update to version 1.1.1
* Rudimentary support for retinal display Macs
* Support for manual adjustment of the view
* DNA/RNA builder
* Simple LAMMPS input generator for water
* PSI4 input generator added
* Fixed QTAIM to work on Windows
* Updated gl2ps snapshot
- Remove fixed patches
* avogadro-1.1.0-no-return-in-nonvoid-function.patch
* MopacAuxReaderFix.patch
* shlib-pic-flag.patch
- Use %cmake macro
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Sun Aug 11 09:08:02 UTC 2013 - schwab@suse.de
- Compile with %{optflags}
- Use RelWithDebInfo build type not to strip binaries
- shlib-pic-flag.patch: Always use PIC in shlib objects
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Tue Feb 5 01:12:27 UTC 2013 - stecue@gmail.com
- added MopacAuxReaderFix.patch to avoid crash when loading aux.
- fixed build on SLES
- split off python package
(also use sitearch for arch-dependent files)
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Sun Feb 3 16:25:54 UTC 2013 - lars@linux-schulserver.de
- added avogadro-1.1.0-no-return-in-nonvoid-function.patch
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Sun Oct 7 20:17:02 UTC 2012 - lars@linux-schulserver.de
- update to 1.1.0:
+ Fix crash with dipole moment after optimization (PR#3521044)
+ Add test files for QTAIM analysis, including diborane(B2H6),
C4H4, and HCO2. These files will be used for a tutorial
+ Fix residue and atom code assignment
+ be conservative about changing elements when copying atoms
for the same reason
- removed avogadro-boost148.patch and avogadro-nostrip.patch
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Fri Oct 5 11:30:01 UTC 2012 - coolo@suse.com
- glew no longer requires glu, so buildrequire it explicitly
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Mon Sep 24 09:52:28 UTC 2012 - schwab@linux-m68k.org
- Use %{optflags} and don't strip binaries
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Tue Apr 3 09:31:46 UTC 2012 - idonmez@suse.com
- Fix compile with boost 1.48
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Wed Feb 15 20:25:53 UTC 2012 - lars@linux-schulserver.de
- fix Copyright header in specfile and license (spdx format)
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Tue Nov 29 10:57:01 CET 2011 - ro@suse.de
- use _lib macro to determine lib suffix
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Sat Sep 17 13:54:22 UTC 2011 - jengelh@medozas.de
- Remove redundant tags/sections from specfile
- Implement baselibs for package
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Mon Aug 8 10:34:25 UTC 2011 - toddrme2178@gmail.ccom
- Added check for duplicate files (fix for RPMLINT warning)
- Removed name from summary (fix for RPMLINT warning)
- Cleaned up spec file formatting
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Mon Jun 6 10:45:56 UTC 2011 - andrea@opensuse.org
- Spec file clean up
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Fri May 20 03:42:46 UTC 2011 - stecue@gmail.com
- removed the obsolete patches due to the new upstream version.
- no more crash on openSUSE 11.4 when starting.
- new upstream version (bugfix release)
* Fixed building of translations on Linux and Mac OS X.
* Fixed issues with newer versions of SIP
* Import Avogadro automatically in the Python terminal
* Some fixes/adjustments for newer versions of Open Babel
* Fixed a bug in the bounds for cubes, now isosurfaces align to molecules in all cases
* Added picking support in wireframe - enables editing of atoms in this mode
* Fixed some crashes when drawing with adjust hydrogens on
* Ensure the GAMESS input generator updates when atoms are added, removed or updated
* Added some missing entries in the GAMESS input dialog
* Fixes to the NWChem input generator
* Add LARGE keyword to MOPAC input files to give full output of MOs
* Fixed autobonding in animations when rendering in POV-Ray for video
* Removed some old CMake code that was no longer needed
* Made Linguist optional for Avogadro builds
* Fixes for compilation on Windows
* Fixed a few memory leaks
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Tue Oct 19 13:11:24 UTC 2010 - andrea@opensuse.org
- removed proprietary test files from the tarball bnc#645306
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Tue Oct 19 13:11:24 UTC 2010 - andrea@opensuse.org
- removed proprietary test files from the tarball bnc#645306
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Fri Oct 8 11:48:57 UTC 2010 - coolo@novell.com
- move the changelog to .changes to prepare factory submission
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Fri Nov 6 00:00:00 UTC 2009 - andrea@opensuse.org
- new upstream version (Stable release)
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Sat Jul 25 00:00:00 UTC 2009 - andrea@opensuse.org
- new upstream version (bugfix release)
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Fri Jun 5 00:00:00 UTC 2009 - andrea@opensuse.org
- new upstream version (bugfix release)
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Wed Jun 3 00:00:00 UTC 2009 - andrea@opensuse.org
- new upstream version 0.9.5
- disabled update checker
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Tue May 5 00:00:00 UTC 2009 - andrea@opensuse.org
- new upstream version 0.9.4
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Wed Apr 8 00:00:00 UTC 2009 - andrea@opensuse.org
- fixed bug 2737083 :
https://sourceforge.net/tracker/?func=detail&aid=2737083&group_id=165310&atid=835077
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Sat Apr 4 00:00:00 UTC 2009 - andrea@opensuse.org
- new upstream version 0.9.3
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Thu Mar 19 00:00:00 UTC 2009 - andrea@opensuse.org
- update to version 0.9.2
- added several BuildRequires to allow GLSL module and
docs compilation, python module still broken
- added fdupes to symlink duplicate files
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Mon Feb 23 00:00:00 UTC 2009 - andrea@opensuse.org
- update to version 0.9.1
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Wed Jun 11 00:00:00 UTC 2008 - andrea@opensuse.org
- update to version 0.8.1
- lots of fixing and improving:
for more info check here: http://avogadro.openmolecules.net/wiki/Avogadro_0.8.1
- made rpmlint happier
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Fri May 30 00:00:00 UTC 2008 - andrea@opensuse.org
- update to version 0.8.0
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Mon Mar 24 00:00:00 UTC 2008 - andrea@opensuse.org
- update to version 0.6.1
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Fri Dec 21 00:00:00 UTC 2007 - andrea@opensuse.org
- Fixed URL project page
- Fixed libavogadro0 and avogadro-devel package
- added libavogadro like obsoletes
- follow shared library packagin policy:
rename libavogadro to libavogadro0
- create a devel package containing the headers files
- make the compiler happier: added avogadro-0.2.0-mathmeaning.patch
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Sun Dec 16 00:00:00 UTC 2007 - andrea@opensuse.org
- First spec making
