A Molecular design tool

Edit Package avogadro
http://avogadro.sourceforge.net/wiki/Main_Page

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.

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Source Files
Filename Size Changed
0004-don-t-use-signbit-on-non-float.patch 0000001267 1.24 KB
avogadro-1.1.0-avopkg-fix-echo.patch 0000001143 1.12 KB
avogadro-1.2.0.tar.gz 0016779635 16 MB
avogadro-boost.patch 0000002708 2.64 KB
avogadro-opanbabel.patch 0000000599 599 Bytes
avogadro-port-to-eigen3.patch 0000038243 37.3 KB
avogadro.changes 0000012225 11.9 KB
avogadro.png 0000049428 48.3 KB
avogadro.spec 0000006368 6.22 KB
baselibs.conf 0000000111 111 Bytes
Latest Revision
Ludwig Nussel's avatar Ludwig Nussel (lnussel_factory) accepted request 691557 from Atri Bhattacharya's avatar Atri Bhattacharya (badshah400) (revision 17)
- 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
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