sci-chemistry / ghemical

Chemical quantum mechanics and molecular mechanics

Official package sites : http://bioinformatics.org/ghemical/ ·

Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available.

v3.0.0 :: 0 :: gentoo

Modified
License
GPL-2
Keywords
~amd64 ~x86
USE flags
openbabel seamonkey threads

General

openbabel
Missing description
seamonkey
Missing description
threads
Add threads support for various packages. Usually pthreads

app-portage / elt-patches : Collection of patches for libtool.eclass

dev-libs / glib : The GLib library of C routines

gnome-base / libglade : Library to construct graphical interfaces at runtime

sci-chemistry / mpqc : The Massively Parallel Quantum Chemistry Program

sci-chemistry / openbabel : Interconverts file formats used in molecular modeling

sci-libs / libghemical : Chemical quantum mechanics and molecular mechanics

sys-devel / autoconf : Used to create autoconfiguration files

sys-devel / automake : Used to generate Makefile.in from Makefile.am

sys-devel / libtool : A shared library tool for developers

virtual / opengl : Virtual for OpenGL implementation

virtual / pkgconfig : Virtual for the pkg-config implementation

x11-libs / gtk+ : Gimp ToolKit +

x11-libs / gtkglext : GL extensions for Gtk+ 2.0

x11-libs / liboglappth : Libary for OpenGL applications with easy-to-code scene setup and selection

x11-libs / pango : Internationalized text layout and rendering library

dev-libs / glib : The GLib library of C routines

gnome-base / libglade : Library to construct graphical interfaces at runtime

sci-chemistry / mpqc : The Massively Parallel Quantum Chemistry Program

sci-chemistry / openbabel : Interconverts file formats used in molecular modeling

sci-libs / libghemical : Chemical quantum mechanics and molecular mechanics

virtual / opengl : Virtual for OpenGL implementation

x11-libs / gtk+ : Gimp ToolKit +

x11-libs / gtkglext : GL extensions for Gtk+ 2.0

x11-libs / liboglappth : Libary for OpenGL applications with easy-to-code scene setup and selection

x11-libs / pango : Internationalized text layout and rendering library

353119
sci-chemistry/ghemical-2.99.1 crashes with cannot load PangoFont on startup
435676
sci-chemistry/ghemical-2.99.2-r2 - /usr/lib64/libSCwfn.so: undefined reference to `sc::DenFunctional::~DenFunctional()'
David Seifert · gentoo
sci-chemistry/ghemical: Drop stable keywords
Package-Manager: Portage-2.3.29, Repoman-2.3.9
Matt Turner · gentoo
sci-chemistry/ghemical: dropped ppc keywords
Justin Lecher · gentoo
sci-chemistry/ghemical: Drop old
Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Agostino Sarubbo · gentoo
sci-chemistry/ghemical: ppc stable wrt bug #615566
Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="ppc" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Agostino Sarubbo · gentoo
sci-chemistry/ghemical: x86 stable wrt bug #615566
Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Agostino Sarubbo · gentoo
sci-chemistry/ghemical: amd64 stable wrt bug #615566
Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/ghemical: Bump EAPI to 6
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>
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