Revisions of avogadro
buildservice-autocommit
accepted
request 1149836
from
Atri Bhattacharya (badshah400)
(revision 23)
baserev update by copy to link target
Atri Bhattacharya (badshah400)
accepted
request 1149756
from
Dominique Leuenberger (dimstar)
(revision 22)
- Remove documentation installed by cmake: we package those files using %doc. - Do not recommend -lang package: the package already has relevant supplements in place.
buildservice-autocommit
accepted
request 1132732
from
Atri Bhattacharya (badshah400)
(revision 21)
baserev update by copy to link target
Atri Bhattacharya (badshah400)
accepted
request 1131333
from
Atri Bhattacharya (badshah400)
(revision 20)
* Update to version 1.98.1. * Update avogadro-i18n source to 1.98.0. * Requires avogadrolibs >= 1.98.0. * Bump required cmake version to 3.24 as required by upstream.
buildservice-autocommit
accepted
request 1003988
from
Atri Bhattacharya (badshah400)
(revision 19)
baserev update by copy to link target
Atri Bhattacharya (badshah400)
accepted
request 1003951
from
Stefan Brüns (StefanBruens)
(revision 18)
- 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
Matthias Mailänder (Mailaender)
accepted
request 925258
from
Eric Schirra (ecsos)
(revision 17)
- 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. - 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) - 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) - Remove 0006-Fix-libmsym-libdir-for-64bit.patch and define INSTALL_LIB_DIR and INSTALL_CMAKE_DIR via cmdline instead - 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. - Correct buildrequires so xorg-x11-devel is no longer used. - Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2 to cmake to fix build on Tumbleweed - 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 - BuildRequire libboost_python-devel instead of boost-devel on Tumbleweed to fix build - Fix buildfailure with openbabel (avogadro-opanbabel.patch) - Add avogadro-boost.patch to fix build failures with boost 1.60.0 - add arm-qreal-vs-double.patch - Added patch to fix building against cmake >= 3.2, libX11 is no longer magically implied. (sf#avogadro/bugs/746) + avogadro-cmake-3.2.patch - fix using 'echo' command in avopkg script - add patches: * avogadro-1.1.0-avopkg-fix-echo.patch - 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 - 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 - Compile with %{optflags} - Use RelWithDebInfo build type not to strip binaries - shlib-pic-flag.patch: Always use PIC in shlib objects - added MopacAuxReaderFix.patch to avoid crash when loading aux. - fixed build on SLES - split off python package (also use sitearch for arch-dependent files) - added avogadro-1.1.0-no-return-in-nonvoid-function.patch - 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 - glew no longer requires glu, so buildrequire it explicitly - Use %{optflags} and don't strip binaries - Fix compile with boost 1.48 - fix Copyright header in specfile and license (spdx format) - use _lib macro to determine lib suffix - Remove redundant tags/sections from specfile - Implement baselibs for package - Added check for duplicate files (fix for RPMLINT warning) - Removed name from summary (fix for RPMLINT warning) - Cleaned up spec file formatting - Spec file clean up - 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 - removed proprietary test files from the tarball bnc#645306 - removed proprietary test files from the tarball bnc#645306 - move the changelog to .changes to prepare factory submission - new upstream version (Stable release) - new upstream version (bugfix release) - new upstream version (bugfix release) - new upstream version 0.9.5 - disabled update checker - new upstream version 0.9.4 - fixed bug 2737083 : https://sourceforge.net/tracker/?func=detail&aid=2737083&group_id=165310&atid=835077 - new upstream version 0.9.3 - 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 - update to version 0.9.1 - 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 - update to version 0.8.0 - update to version 0.6.1 - 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 - First spec making
Dominique Leuenberger (dimstar_suse)
accepted
request 916837
from
Ferdinand Thiessen (susnux)
(revision 16)
initialized devel package after accepting 916837
Dirk Stoecker (dstoecker)
committed
(revision 15)
Dirk Stoecker (dstoecker)
accepted
request 912954
from
Ferdinand Thiessen (susnux)
(revision 14)
- Update to 1.95.0
Matthias Mailänder (Mailaender)
accepted
request 895906
from
Ferdinand Thiessen (susnux)
(revision 13)
- Update to 1.93.0
Atri Bhattacharya (badshah400)
accepted
request 690667
from
Andreas Schwab (Andreas_Schwab)
(revision 12)
- Remove 0006-Fix-libmsym-libdir-for-64bit.patch and define INSTALL_LIB_DIR and INSTALL_CMAKE_DIR via cmdline instead
Atri Bhattacharya (badshah400)
accepted
request 688740
from
Atri Bhattacharya (badshah400)
(revision 11)
- 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.
Matthias Mailänder (Mailaender)
accepted
request 583977
from
Cristian Rodríguez (elvigia)
(revision 10)
- Correct buildrequires so xorg-x11-devel is no longer used.
Matthias Mailänder (Mailaender)
accepted
request 572346
from
Wolfgang Bauer (wolfi323)
(revision 9)
- Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2 to cmake to fix build on Tumbleweed
Klaus Kämpf (kwk)
committed
(revision 8)
- add 0004-don-t-use-signbit-on-non-float.patch, 0005-Link-with-libm.patch, 0006-Fix-libmsym-libdir-for-64bit.patch
Klaus Kämpf (kwk)
accepted
request 560077
from
Klaus Kämpf (kwk)
(revision 7)
- 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) - fix package group: Productivity/Scientific/Chemistry
Matthias Mailänder (Mailaender)
accepted
request 559660
from
Wolfgang Bauer (wolfi323)
(revision 6)
- BuildRequire libboost_python-devel instead of boost-devel on Tumbleweed to fix build
Matthias Mailänder (Mailaender)
committed
(revision 5)
- Fix buildfailure with openbabel (avogadro-opanbabel.patch) - Add avogadro-boost.patch to fix build failures with boost 1.60.0 - add arm-qreal-vs-double.patch - Added patch to fix building against cmake >= 3.2, libX11 is no longer magically implied. (sf#avogadro/bugs/746) + avogadro-cmake-3.2.patch - fix using 'echo' command in avopkg script - add patches: * avogadro-1.1.0-avopkg-fix-echo.patch - 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 - Update to version 1.1.1 * Rudimentary support for retinal display Macs
Matthias Mailänder (Mailaender)
committed
(revision 4)
Displaying revisions 1 - 20 of 23