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Name: openbabel-gui | Distribution: openSUSE Tumbleweed |
Version: 3.1.1 | Vendor: openSUSE |
Release: 2.4 | Build date: Tue Jul 18 10:29:25 2023 |
Group: Productivity/Scientific/Chemistry | Build host: reproducible |
Size: 320235 | Source RPM: openbabel-3.1.1-2.4.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: https://openbabel.org | |
Summary: Graphical User Interface for Open Babel, a chemical toolbox |
Open Babel is a chemical toolbox understanding many formats of chemical data. It allows to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. This package contains a graphical interface for Open Babel.
GPL-2.0-only
* Tue Jul 18 2023 Andreas Schwab <schwab@suse.de> - Skip problematic tests and increase timeout on riscv64 * Fri Aug 26 2022 Antoine Belvire <antoine.belvire@opensuse.org> - Don't define %upstream version from %version: %upstream_version is used in Source tag and osc download service does not evaluate %() nor %{lua:} in Source tags for security reasons. - Drop entirely baselibs.conf: 32bit libraries seem unnecessary. * Tue Aug 23 2022 Antoine Belvire <antoine.belvire@opensuse.org> - Remove libinchi0 from baselibs.conf: Bundled inchi is not built anymore. * Sun Aug 14 2022 Antoine Belvire <antoine.belvire@opensuse.org> - Update to version 3.1.1: * Fixes for packaging. * No features or significant bug fixes were involved. - Changes from version 3.1.0: * This version represents additional API and is backwards-compatible with the 3.0 release. * For a full list of changes, see: https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob310.html - Changes from version 3.0.0: * This release represents a major update and is strongly recommended for all users. * It also removes deprecated components and breaks the API in a few places. For information on migrating from the previous version, please see: https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html#migrating-to-3-0 * A sample of major new features: + Code for handling implicit hydrogens and kekulization has been entirely replaced. As well as being accurate, the new approach is much faster. + Speed of reading and writing SMILES has been improved by more than 50-fold. + Removal of the old 'babel' binary in favor of the newer 'obabel' command-line tool. + New improved fragment-based 3D coordinate generation code. + New API for handling reactions stored as molecules (e.g. Reaction InChI, etc.). + New API for copying part of an OBMol as a substructure. + Support for Maestro file format. * For a full list of changes, see: https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob300.html - Remove upstreamed patches: * fix_narrowing.patch * fix_yasara.patch - Add patches: * openbabel-3.1.1-test-python3-escape-chars.patch: Fix python test failure (gh#openbabel/openbabel#2217). * openbabel-3.1.1-test-python3-imports.patch: Fix ImportError in python tests (gh#openbabel/openbabel!2378). * openbabel-3.1.1-version-number.patch: Fix version number. * openbabel-3.1.1-gcc-12.patch: Fix build with GCC 12 (gh#openbabel/openbabel!2493). * openbabel-3.1.1-wx-stl-compat.patch: Fix GUI build against wxWidgets compiled with STL (gh#openbabel/openbabel!2527). - Build against system's inchi library instead of the bundled one. - Add maeparser-devel as build dependency: Needed for Maestro support. - Update subpackages: * Compile and package GUI. * Move plugins from CLI package (i.e. main package) to library package: They should be available to other library clients without requiring the CLI tools. * Move data files from CLI package to library package: Some are required by the library, some are required by its plugins, let's move everything to library package for now. - Drop __DATE__ and __TIME__ tweaks for reproducibility: These GCC macros now use SOURCE_DATE_EPOCH. - Enable tests. * Mon Mar 30 2020 Martin Pluskal <mpluskal@suse.com> - Modernise spec file - Drop old conditionals - Use ninja as builder - Build only python3 bindings * Wed May 16 2018 guillaume.gardet@opensuse.org - Backport https://github.com/openbabel/openbabel/commit/e26491 * fix_narrowing.patch - Backport https://github.com/openbabel/openbabel/commit/8d707b * fix_yasara.patch * Sun May 13 2018 wbauer@tmo.at - Don't delete command line tools, include them in the main package as with openbabel < 2.4 - Pass -ULIB_INSTALL_DIR to unset this var, the %cmake macro sets it to %{_libdir} resulting in a duplicate /usr in the module search path which causes the plugins not to be found (boo#997190) * Wed Feb 21 2018 wbauer@tmo.at - Provide/Obsolete libopenbabel-devel for compatibility * Sun Feb 18 2018 jengelh@inai.de - Fix RPM groups. Update descriptions. * Sat Feb 03 2018 wbauer@tmo.at - Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2 to cmake to fix build on Tumbleweed
/usr/bin/obgui /usr/share/man/man1/obgui.1.gz /usr/share/openbabel /usr/share/openbabel/3.1.1 /usr/share/openbabel/3.1.1/splash.png
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Fabrice Bellet, Wed Nov 13 00:41:02 2024