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| Name: avogadro | Distribution: SUSE Linux Enterprise 15 SP6 |
| Version: 1.98.1 | Vendor: openSUSE |
| Release: bp156.1.2 | Build date: Tue May 14 06:47:25 2024 |
| Group: Productivity/Scientific/Chemistry | Build host: s390zp28 |
| Size: 1034637 | Source RPM: avogadro-1.98.1-bp156.1.2.src.rpm |
| Packager: https://bugs.opensuse.org | |
| Url: https://two.avogadro.cc/ | |
| Summary: A Molecular design tool | |
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
GPL-2.0-only
* Fri Feb 23 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 06 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 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 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 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 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 02 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 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 07 2018 crrodriguez@opensuse.org
- Correct buildrequires so xorg-x11-devel is no longer
used.
* Sat Feb 03 2018 wbauer@tmo.at
- Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2
to cmake to fix build on Tumbleweed
* Wed Dec 27 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 2017 wbauer@tmo.at
- BuildRequire libboost_python-devel instead of boost-devel on
Tumbleweed to fix build
* Mon Mar 28 2016 dvaleev@suse.com
- Fix buildfailure with openbabel (avogadro-opanbabel.patch)
* Thu Jan 07 2016 idonmez@suse.com
- Add avogadro-boost.patch to fix build failures with boost 1.60.0
* Sat Apr 04 2015 dmueller@suse.com
- add arm-qreal-vs-double.patch
* Tue Mar 24 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 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 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 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
/usr/bin/avogadro2 /usr/share/applications/avogadro2.desktop /usr/share/avogadro2 /usr/share/avogadro2/i18n /usr/share/doc/packages/avogadro /usr/share/doc/packages/avogadro/CONTRIBUTING.md /usr/share/doc/packages/avogadro/README.md /usr/share/licenses/avogadro /usr/share/licenses/avogadro/LICENSE /usr/share/metainfo/avogadro2.appdata.xml /usr/share/pixmaps/avogadro2.png
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Fabrice Bellet, Tue Jul 9 20:22:04 2024