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File avogadro.changes of Package avogadro
------------------------------------------------------------------- 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. ------------------------------------------------------------------- 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. ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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. ------------------------------------------------------------------- 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) ------------------------------------------------------------------- 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) ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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. ------------------------------------------------------------------- Wed Mar 7 15:44:22 UTC 2018 - crrodriguez@opensuse.org - Correct buildrequires so xorg-x11-devel is no longer used. ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Sat Dec 23 21:57:19 UTC 2017 - wbauer@tmo.at - BuildRequire libboost_python-devel instead of boost-devel on Tumbleweed to fix build ------------------------------------------------------------------- Mon Mar 28 13:19:13 UTC 2016 - dvaleev@suse.com - Fix buildfailure with openbabel (avogadro-opanbabel.patch) ------------------------------------------------------------------- Thu Jan 7 14:06:44 UTC 2016 - idonmez@suse.com - Add avogadro-boost.patch to fix build failures with boost 1.60.0 ------------------------------------------------------------------- Sat Apr 4 13:38:03 UTC 2015 - dmueller@suse.com - add arm-qreal-vs-double.patch ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- 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) ------------------------------------------------------------------- Sun Feb 3 16:25:54 UTC 2013 - lars@linux-schulserver.de - added avogadro-1.1.0-no-return-in-nonvoid-function.patch ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Fri Oct 5 11:30:01 UTC 2012 - coolo@suse.com - glew no longer requires glu, so buildrequire it explicitly ------------------------------------------------------------------- Mon Sep 24 09:52:28 UTC 2012 - schwab@linux-m68k.org - Use %{optflags} and don't strip binaries ------------------------------------------------------------------- Tue Apr 3 09:31:46 UTC 2012 - idonmez@suse.com - Fix compile with boost 1.48 ------------------------------------------------------------------- Wed Feb 15 20:25:53 UTC 2012 - lars@linux-schulserver.de - fix Copyright header in specfile and license (spdx format) ------------------------------------------------------------------- Tue Nov 29 10:57:01 CET 2011 - ro@suse.de - use _lib macro to determine lib suffix ------------------------------------------------------------------- Sat Sep 17 13:54:22 UTC 2011 - jengelh@medozas.de - Remove redundant tags/sections from specfile - Implement baselibs for package ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Mon Jun 6 10:45:56 UTC 2011 - andrea@opensuse.org - Spec file clean up ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Tue Oct 19 13:11:24 UTC 2010 - andrea@opensuse.org - removed proprietary test files from the tarball bnc#645306 ------------------------------------------------------------------- Tue Oct 19 13:11:24 UTC 2010 - andrea@opensuse.org - removed proprietary test files from the tarball bnc#645306 ------------------------------------------------------------------- Fri Oct 8 11:48:57 UTC 2010 - coolo@novell.com - move the changelog to .changes to prepare factory submission ------------------------------------------------------------------- Fri Nov 6 00:00:00 UTC 2009 - andrea@opensuse.org - new upstream version (Stable release) ------------------------------------------------------------------- Sat Jul 25 00:00:00 UTC 2009 - andrea@opensuse.org - new upstream version (bugfix release) ------------------------------------------------------------------- Fri Jun 5 00:00:00 UTC 2009 - andrea@opensuse.org - new upstream version (bugfix release) ------------------------------------------------------------------- Wed Jun 3 00:00:00 UTC 2009 - andrea@opensuse.org - new upstream version 0.9.5 - disabled update checker ------------------------------------------------------------------- Tue May 5 00:00:00 UTC 2009 - andrea@opensuse.org - new upstream version 0.9.4 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Sat Apr 4 00:00:00 UTC 2009 - andrea@opensuse.org - new upstream version 0.9.3 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Mon Feb 23 00:00:00 UTC 2009 - andrea@opensuse.org - update to version 0.9.1 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Fri May 30 00:00:00 UTC 2008 - andrea@opensuse.org - update to version 0.8.0 ------------------------------------------------------------------- Mon Mar 24 00:00:00 UTC 2008 - andrea@opensuse.org - update to version 0.6.1 ------------------------------------------------------------------- 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 ------------------------------------------------------------------- Sun Dec 16 00:00:00 UTC 2007 - andrea@opensuse.org - First spec making
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