NOTICE: This package has been removed from pkgsrc

./wip/ghemical, Ghemical is a computational chemistry software package for GNOME

[ CVSweb ] [ Homepage ] [ RSS ] [ Required by ]

Branch: CURRENT, Version: 2.99.2, Package name: ghemical-2.99.2, Maintainer: pkgsrc.gnome

Ghemical is a computational chemistry software package written in C++. It has a graphical user interface and it supports both quantum- mechanics (semi-empirical) models and molecular mechanics models. Geometry optimization, molecular dynamics and a large set of visualization tools using OpenGL are currently available.

Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package (Public Domain), and are included in the package. The MPQC package is used to provide ab initio methods: the methods based on Hartree-Fock theory are currently supported with basis sets ranging from STO-3G to 6-31G**.


Required to run:
[graphics/gtkglext] [devel/glib2] [devel/libglade] [x11/gtk2] [wip/openbabel] [wip/libghemical] [wip/liboglappth]

Required to build:
[textproc/intltool] [lang/perl5] [pkgtools/x11-links] [devel/gmake] [devel/libtool-base] [devel/boost-headers] [devel/pkg-config] [x11/renderproto] [x11/xproto] [x11/fixesproto] [x11/inputproto] [x11/xextproto] [x11/randrproto]

Master sites:

SHA1: b84b3f750ccd05a9cc0b1a8318abb3a24f2be9c1
RMD160: 2d8a4d4f3d38c6b2e8b70d14f1b748c40c760334
Filesize: 2118.012 KB

Version history: (Expand)

CVS history: (Expand)


   2011-12-29 01:30:28 by Kamel Derouiche | Files touched by this commit (4) | Package removed
Log message:
clone delete