sci-chemistry / openbabel

Interconverts file formats used in molecular modeling

Official package sites : http://openbabel.sourceforge.net/ ·

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

v2.4.1 :: 0/5.0.0 :: gentoo

Modified
License
GPL-2
Keywords
amd64 x86 ~amd64-linux ~arm ~ppc-macos ~x86-linux
USE flags
doc openmp test wxwidgets

General

doc
Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
openmp
Build support for the OpenMP (support parallel computing), requires >=sys-devel/gcc-4.2 built with USE="openmp"
test
Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)
wxwidgets
Add support for wxWidgets/wxGTK GUI toolkit

app-doc / doxygen : Documentation system for most programming languages

dev-cpp / eigen : C++ template library for linear algebra

dev-libs / libxml2 : XML C parser and toolkit

dev-util / cmake : Cross platform Make

sci-libs / inchi : Program and library for generating standard and non-standard InChI and InChIKeys

sys-devel / make : Standard tool to compile source trees

sys-libs / zlib : Standard (de)compression library

x11-libs / wxGTK : GTK+ version of wxWidgets, a cross-platform C++ GUI toolkit

dev-cpp / eigen : C++ template library for linear algebra

dev-libs / libxml2 : XML C parser and toolkit

sci-libs / inchi : Program and library for generating standard and non-standard InChI and InChIKeys

sys-libs / zlib : Standard (de)compression library

x11-libs / wxGTK : GTK+ version of wxWidgets, a cross-platform C++ GUI toolkit

kde-apps / kalzium : Periodic table of the elements

sci-chemistry / ghemical : Chemical quantum mechanics and molecular mechanics

sci-chemistry / molsketch : A drawing tool for 2D molecular structures

sci-chemistry / openbabel-perl : Perl bindings for OpenBabel

sci-chemistry / openbabel-python : Python bindings for OpenBabel (including Pybel)

626876
sci-chemistry/openbabel-2.4.1 fails to build with USE=wxwidgets
659148
sci-chemistry/openbabel-2.4.1 : [QA] One or more CMake variables were not used by the project:
Repository mirror & CI · gentoo
Merge updates from master
Andreas Sturmlechner · gentoo
sci-chemistry/openbabel: Drop 2.3.2-r1
Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
Sergei Trofimovich · gentoo
sci-chemistry/openbabel: allow gcc-8, bug #654800
openbabel explicitly whitelists list of major GCC versions. The change by Milan allow gcc-8. Newer upstream versions fixed the code to handle in in a more generic way: https://github.com/openbabel/openbabel/commit/00120f89cf62b121c30d0b2a891b159e19b53624 Fixed-by: milan hodoscek Closes: https://bugs.gentoo.org/654800 Package-Manager: Portage-2.3.36, Repoman-2.3.9
Michael Palimaka · gentoo
sci-chemistry/openbabel: stabilise 2.4.1 for x86
Bug: https://bugs.gentoo.org/625088 Package-Manager: Portage-2.3.8, Repoman-2.3.3
Matt Turner · gentoo
sci-chemistry/openbabel-2.4.1: dropped ppc keywords, bug 625088
Tobias Klausmann · gentoo
sci-chemistry/openbabel-2.4.1-r0: amd64 stable
Gentoo-Bug: 625088
Justin Lecher · gentoo
sci-chemistry/openbabel: Fix API doc installation
Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=619140 Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/openbabel: Version Bump
which fixes build problems with earlier versions Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=618402 Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=618414 Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=618542 Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/openbabel: Backport Fix for gcc 6/7
Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=594154 Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/openbabel: Only configure WxGtk with USE=wxwidgets
Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=565040 Package-Manager: portage-2.2.23 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/openbabel: Drop old
obsoletes Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=449852 Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=553104 Package-Manager: portage-2.2.23 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Agostino Sarubbo · gentoo
sci-chemistry/openbabel: ppc stable wrt bug #564280
Package-Manager: portage-2.2.20.1 RepoMan-Options: --include-arches="ppc"
Mikle Kolyada · gentoo
sci-chemistry/openbabel: x86 stable wrt bug #564280
Package-Manager: portage-2.2.20.1
Agostino Sarubbo · gentoo
sci-chemistry/openbabel: amd64 stable wrt bug #564280
Package-Manager: portage-2.2.20.1 RepoMan-Options: --include-arches="amd64"
Justin Lecher · gentoo
sci-chemistry/openbabel: Fix for gcc-5
convert mycmakeargs to be an array Package-Manager: portage-2.2.23 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Pacho Ramos · gentoo
sci-chemistry/openbabel: Support wxGTK:3.0
Package-Manager: portage-2.2.23
Dion Moult · gentoo
profiles: mask sci-chemistry/babel for removal. Bug #552284
Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed