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Name: avogadro | Distribution: openSUSE Tumbleweed |
Version: 1.98.1 | Vendor: openSUSE |
Release: 2.1 | Build date: Fri Feb 23 20:21:25 2024 |
Group: Productivity/Scientific/Chemistry | Build host: i01-armsrv2 |
Size: 923401 | Source RPM: avogadro-1.98.1-2.1.src.rpm |
Packager: http://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 BrĂ¼ns <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
/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, Thu Oct 3 00:41:33 2024