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| Name: avogadro | Distribution: openSUSE Leap 15.2 |
| Version: 1.2.0 | Vendor: openSUSE |
| Release: lp152.5.3 | Build date: Thu Feb 6 14:31:37 2020 |
| Group: Productivity/Scientific/Chemistry | Build host: armbuild21 |
| Size: 14713506 | Source RPM: avogadro-1.2.0-lp152.5.3.src.rpm |
| Packager: https://bugs.opensuse.org | |
| Url: http://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
* 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/avogadro /usr/bin/avopkg /usr/bin/qube /usr/lib/avogadro /usr/lib/avogadro/1_2 /usr/lib/avogadro/1_2/colors /usr/lib/avogadro/1_2/colors/atomindexcolor.so /usr/lib/avogadro/1_2/colors/chargecolor.so /usr/lib/avogadro/1_2/colors/customcolor.so /usr/lib/avogadro/1_2/colors/distancecolor.so /usr/lib/avogadro/1_2/colors/residuecolor.so /usr/lib/avogadro/1_2/colors/smartscolor.so /usr/lib/avogadro/1_2/engines /usr/lib/avogadro/1_2/engines/axesengine.so /usr/lib/avogadro/1_2/engines/cartoonengine.so /usr/lib/avogadro/1_2/engines/dipoleengine.so /usr/lib/avogadro/1_2/engines/forceengine.so /usr/lib/avogadro/1_2/engines/hbondengine.so /usr/lib/avogadro/1_2/engines/labelengine.so /usr/lib/avogadro/1_2/engines/polygonengine.so /usr/lib/avogadro/1_2/engines/qtaimengine.so /usr/lib/avogadro/1_2/engines/ribbonengine.so /usr/lib/avogadro/1_2/engines/ringengine.so /usr/lib/avogadro/1_2/engines/simplewireengine.so /usr/lib/avogadro/1_2/engines/sphereengine.so /usr/lib/avogadro/1_2/engines/stickengine.so /usr/lib/avogadro/1_2/engines/surfaceengine.so /usr/lib/avogadro/1_2/engines/wireengine.so /usr/lib/avogadro/1_2/extensions /usr/lib/avogadro/1_2/extensions/animationextension.so /usr/lib/avogadro/1_2/extensions/cartesianextension.so /usr/lib/avogadro/1_2/extensions/crystallographyextension.so /usr/lib/avogadro/1_2/extensions/fileimportextension.so /usr/lib/avogadro/1_2/extensions/forcefieldextension.so /usr/lib/avogadro/1_2/extensions/gamessextension.so /usr/lib/avogadro/1_2/extensions/gl2psextension.so /usr/lib/avogadro/1_2/extensions/h2methylextension.so /usr/lib/avogadro/1_2/extensions/hydrogensextension.so /usr/lib/avogadro/1_2/extensions/inputfileextension.so /usr/lib/avogadro/1_2/extensions/insertdnaextension.so /usr/lib/avogadro/1_2/extensions/insertfragmentextension.so /usr/lib/avogadro/1_2/extensions/insertpeptideextension.so /usr/lib/avogadro/1_2/extensions/invertchiralextension.so /usr/lib/avogadro/1_2/extensions/molecularpropextension.so /usr/lib/avogadro/1_2/extensions/networkfetchextension.so /usr/lib/avogadro/1_2/extensions/orbitalextension.so /usr/lib/avogadro/1_2/extensions/orcaextension.so /usr/lib/avogadro/1_2/extensions/povrayextension.so /usr/lib/avogadro/1_2/extensions/propextension.so /usr/lib/avogadro/1_2/extensions/pythonterminal.so /usr/lib/avogadro/1_2/extensions/qtaimextension.so /usr/lib/avogadro/1_2/extensions/selectextension.so /usr/lib/avogadro/1_2/extensions/shaderextension.so /usr/lib/avogadro/1_2/extensions/spectraextension.so /usr/lib/avogadro/1_2/extensions/supercellextension.so /usr/lib/avogadro/1_2/extensions/surfaceextension.so /usr/lib/avogadro/1_2/extensions/swcntbuilderextension.so /usr/lib/avogadro/1_2/extensions/symmetryextension.so /usr/lib/avogadro/1_2/extensions/vibrationextension.so /usr/lib/avogadro/1_2/extensions/vrmlextension.so /usr/lib/avogadro/1_2/tools /usr/lib/avogadro/1_2/tools/aligntool.so /usr/lib/avogadro/1_2/tools/autoopttool.so /usr/lib/avogadro/1_2/tools/autorotatetool.so /usr/lib/avogadro/1_2/tools/bondcentrictool.so /usr/lib/avogadro/1_2/tools/clickmeasuretool.so /usr/lib/avogadro/1_2/tools/drawtool.so /usr/lib/avogadro/1_2/tools/manipulatetool.so /usr/lib/avogadro/1_2/tools/selectrotatetool.so /usr/lib/avogadro/1_2/tools/zmatrixtool.so /usr/lib/libmsym.so /usr/share/applications/avogadro.desktop /usr/share/avogadro /usr/share/avogadro/builder /usr/share/avogadro/builder/amino /usr/share/avogadro/builder/amino/d-ala.zmat /usr/share/avogadro/builder/amino/d-arg.zmat /usr/share/avogadro/builder/amino/d-asn.zmat /usr/share/avogadro/builder/amino/d-asp.zmat /usr/share/avogadro/builder/amino/d-cys.zmat /usr/share/avogadro/builder/amino/d-gln.zmat /usr/share/avogadro/builder/amino/d-glu.zmat /usr/share/avogadro/builder/amino/d-his.zmat /usr/share/avogadro/builder/amino/d-ile.zmat /usr/share/avogadro/builder/amino/d-leu.zmat /usr/share/avogadro/builder/amino/d-lys.zmat /usr/share/avogadro/builder/amino/d-met.zmat /usr/share/avogadro/builder/amino/d-phe.zmat /usr/share/avogadro/builder/amino/d-pro.zmat /usr/share/avogadro/builder/amino/d-ser.zmat /usr/share/avogadro/builder/amino/d-thr.zmat /usr/share/avogadro/builder/amino/d-trp.zmat /usr/share/avogadro/builder/amino/d-tyr.zmat /usr/share/avogadro/builder/amino/d-val.zmat /usr/share/avogadro/builder/amino/gly.zmat /usr/share/avogadro/builder/amino/l-ala.zmat /usr/share/avogadro/builder/amino/l-arg.zmat /usr/share/avogadro/builder/amino/l-asn.zmat /usr/share/avogadro/builder/amino/l-asp.zmat /usr/share/avogadro/builder/amino/l-cys.zmat /usr/share/avogadro/builder/amino/l-gln.zmat /usr/share/avogadro/builder/amino/l-glu.zmat /usr/share/avogadro/builder/amino/l-his.zmat /usr/share/avogadro/builder/amino/l-ile.zmat /usr/share/avogadro/builder/amino/l-leu.zmat /usr/share/avogadro/builder/amino/l-lys.zmat /usr/share/avogadro/builder/amino/l-met.zmat /usr/share/avogadro/builder/amino/l-phe.zmat /usr/share/avogadro/builder/amino/l-pro.zmat /usr/share/avogadro/builder/amino/l-pyl.zmat /usr/share/avogadro/builder/amino/l-sec.zmat /usr/share/avogadro/builder/amino/l-ser.zmat /usr/share/avogadro/builder/amino/l-thr.zmat /usr/share/avogadro/builder/amino/l-trp.zmat /usr/share/avogadro/builder/amino/l-tyr.zmat /usr/share/avogadro/builder/amino/l-val.zmat /usr/share/avogadro/crystals /usr/share/avogadro/crystals/antimonides /usr/share/avogadro/crystals/antimonides/AlSb.cif /usr/share/avogadro/crystals/antimonides/GaSb.cif /usr/share/avogadro/crystals/antimonides/InSb.cif /usr/share/avogadro/crystals/arsenides /usr/share/avogadro/crystals/arsenides/AlAs.cif /usr/share/avogadro/crystals/arsenides/BAs.cif /usr/share/avogadro/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif /usr/share/avogadro/crystals/arsenides/CoAs3-Skutterudite.cif /usr/share/avogadro/crystals/arsenides/GaAs.cif /usr/share/avogadro/crystals/arsenides/InAs.cif /usr/share/avogadro/crystals/arsenides/NiAs-Nickeline.cif /usr/share/avogadro/crystals/carbides /usr/share/avogadro/crystals/carbides/SiC-2H-Moissanite.cif /usr/share/avogadro/crystals/carbides/SiC-3C-beta.cif /usr/share/avogadro/crystals/carbides/SiC-6H-alpha.cif /usr/share/avogadro/crystals/carbides/SiC-Moissanite.cif /usr/share/avogadro/crystals/carbides/SiC.cif /usr/share/avogadro/crystals/carbides/W2C.cif /usr/share/avogadro/crystals/carbides/WC.cif /usr/share/avogadro/crystals/carbonates /usr/share/avogadro/crystals/carbonates/CaCO3-Calcite.cif /usr/share/avogadro/crystals/carbonates/CaMgC2O6-Dolomite.cif /usr/share/avogadro/crystals/carbonates/Li2CO3-Zabuyelite.cif /usr/share/avogadro/crystals/carbonates/MgCO3-Magnesite.cif /usr/share/avogadro/crystals/carbonates/Na2CO3-Natrite.cif /usr/share/avogadro/crystals/clays /usr/share/avogadro/crystals/clays/Al2Si2O9H4-Dickite.cif /usr/share/avogadro/crystals/clays/Al2Si2O9H4-Kaolinite.cif /usr/share/avogadro/crystals/clays/Al2Si2O9H4-Nacrite.cif /usr/share/avogadro/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.cif /usr/share/avogadro/crystals/clays/Al4KSi2O12-Illite.cif /usr/share/avogadro/crystals/clays/AlSi2O6H-Pyrophyllite.cif /usr/share/avogadro/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif /usr/share/avogadro/crystals/clays/FeSi2O6H-Nontronite.cif /usr/share/avogadro/crystals/clays/Lepidolite.cif /usr/share/avogadro/crystals/clays/Mg2Al2SiO9H4-Amesite.cif /usr/share/avogadro/crystals/clays/Mg3(O12Si4)H2-Vermiculite.cif /usr/share/avogadro/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.cif /usr/share/avogadro/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif /usr/share/avogadro/crystals/clays/Zn2SiO5H2-Hemimorphite.cif /usr/share/avogadro/crystals/elements /usr/share/avogadro/crystals/elements/Ac-Actinium.cif /usr/share/avogadro/crystals/elements/Ag-Silver.cif /usr/share/avogadro/crystals/elements/Al-Aluminum.cif /usr/share/avogadro/crystals/elements/Am-Americium.cif /usr/share/avogadro/crystals/elements/Ar-Argon.cif /usr/share/avogadro/crystals/elements/As-Arsenic.cif /usr/share/avogadro/crystals/elements/As-Arsenolamprite.cif /usr/share/avogadro/crystals/elements/Au-Gold.cif /usr/share/avogadro/crystals/elements/B-Boron.cif /usr/share/avogadro/crystals/elements/Ba-Barium.cif /usr/share/avogadro/crystals/elements/Be-Beryllium.cif /usr/share/avogadro/crystals/elements/Bi-Bismuth.cif /usr/share/avogadro/crystals/elements/Br-Bromine.cif /usr/share/avogadro/crystals/elements/C-Diamond.cif /usr/share/avogadro/crystals/elements/C-Graphite.cif /usr/share/avogadro/crystals/elements/C-Lonsdaleite.cif /usr/share/avogadro/crystals/elements/Ca-Calcium-alpha.cif /usr/share/avogadro/crystals/elements/Ca-Calcium-beta.cif /usr/share/avogadro/crystals/elements/Ca-Calcium-gamma.cif /usr/share/avogadro/crystals/elements/Cd-Cadmium.cif /usr/share/avogadro/crystals/elements/Ce-Cerium.cif /usr/share/avogadro/crystals/elements/Cl-Chlorine.cif /usr/share/avogadro/crystals/elements/Co-Cobalt.cif /usr/share/avogadro/crystals/elements/Cr-Chromium.cif /usr/share/avogadro/crystals/elements/Cs-Cesium.cif /usr/share/avogadro/crystals/elements/Cu-Copper.cif /usr/share/avogadro/crystals/elements/Dy-Dysprosium.cif /usr/share/avogadro/crystals/elements/Er-Erbium.cif /usr/share/avogadro/crystals/elements/Eu-Europium.cif /usr/share/avogadro/crystals/elements/Fe-Iron-alpha.cif /usr/share/avogadro/crystals/elements/Fe-Iron-beta.cif /usr/share/avogadro/crystals/elements/Fe-Iron-delta.cif /usr/share/avogadro/crystals/elements/Fe-Iron-gamma.cif /usr/share/avogadro/crystals/elements/Ga-Gallium.cif /usr/share/avogadro/crystals/elements/Gd-Gadolinium.cif /usr/share/avogadro/crystals/elements/Ge-Germanium.cif /usr/share/avogadro/crystals/elements/He-Helium.cif /usr/share/avogadro/crystals/elements/Hf-Hafnium.cif /usr/share/avogadro/crystals/elements/Ho-Holmium.cif /usr/share/avogadro/crystals/elements/I-Iodine.cif /usr/share/avogadro/crystals/elements/In-Indium.cif /usr/share/avogadro/crystals/elements/Ir-Iridium.cif /usr/share/avogadro/crystals/elements/K-Potassium.cif /usr/share/avogadro/crystals/elements/Kr-Krypton.cif /usr/share/avogadro/crystals/elements/La-Lanthanum.cif /usr/share/avogadro/crystals/elements/Li-Lithium.cif /usr/share/avogadro/crystals/elements/Lu-Lutetium.cif /usr/share/avogadro/crystals/elements/Mg-Magnesium.cif /usr/share/avogadro/crystals/elements/Mn-Manganese-alpha.cif /usr/share/avogadro/crystals/elements/Mn-Manganese-delta.cif /usr/share/avogadro/crystals/elements/Mn-Manganese-gamma.cif /usr/share/avogadro/crystals/elements/Mo-Molybdenum.cif /usr/share/avogadro/crystals/elements/N-Nitrogen.cif /usr/share/avogadro/crystals/elements/Na-Sodium.cif /usr/share/avogadro/crystals/elements/Nb-Niobium.cif /usr/share/avogadro/crystals/elements/Nd-Neodymium.cif /usr/share/avogadro/crystals/elements/Ne-Neon.cif /usr/share/avogadro/crystals/elements/Ni-Nickel.cif /usr/share/avogadro/crystals/elements/Np-Neptunium-alpha.cif /usr/share/avogadro/crystals/elements/Np-Neptunium-beta.cif /usr/share/avogadro/crystals/elements/Np-Neptunium-gamma.cif /usr/share/avogadro/crystals/elements/Os-Osmium.cif /usr/share/avogadro/crystals/elements/P-Phosphorus-black.cif /usr/share/avogadro/crystals/elements/P-Phosphorus.cif /usr/share/avogadro/crystals/elements/Pb-Lead.cif /usr/share/avogadro/crystals/elements/Pd-Palladium.cif /usr/share/avogadro/crystals/elements/Pr-Praseodymium.cif /usr/share/avogadro/crystals/elements/Pt-Platinum.cif /usr/share/avogadro/crystals/elements/Pu-Plutonium-alpha.cif /usr/share/avogadro/crystals/elements/Pu-Plutonium-epsilon.cif /usr/share/avogadro/crystals/elements/Pu-Plutonium-gamma.cif /usr/share/avogadro/crystals/elements/Rb-Rubidium.cif /usr/share/avogadro/crystals/elements/Re-Rhenium.cif /usr/share/avogadro/crystals/elements/Rh-Rhodium.cif /usr/share/avogadro/crystals/elements/Ru-Ruthenium.cif /usr/share/avogadro/crystals/elements/S6-Sulfur.cif /usr/share/avogadro/crystals/elements/S8-Sulfur-alpha.cif /usr/share/avogadro/crystals/elements/S8-Sulfur-beta.cif /usr/share/avogadro/crystals/elements/S8-Sulfur-gamma.cif /usr/share/avogadro/crystals/elements/Sb-Antimony.cif /usr/share/avogadro/crystals/elements/Sc-Scandium.cif /usr/share/avogadro/crystals/elements/Se-Selenium.cif /usr/share/avogadro/crystals/elements/Si-Silicon.cif /usr/share/avogadro/crystals/elements/Sm-Samarium.cif /usr/share/avogadro/crystals/elements/Sn-Tin-alpha.cif /usr/share/avogadro/crystals/elements/Sn-Tin-beta.cif /usr/share/avogadro/crystals/elements/Sr-Strontium.cif /usr/share/avogadro/crystals/elements/Ta-Tantalum.cif /usr/share/avogadro/crystals/elements/Tb-Terbium.cif /usr/share/avogadro/crystals/elements/Te-Tellurium.cif /usr/share/avogadro/crystals/elements/Th-Thorium.cif /usr/share/avogadro/crystals/elements/Ti-Titanium-alpha.cif 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Fabrice Bellet, Tue Jul 9 12:19:47 2024