[Blends-commit] r4114 - /projects/debichem/trunk/debichem/debichem-tasks.desc

[mbanck at users.alioth.debian.org]

Author: mbanck
Date: Fri Dec  5 16:03:09 2014
New Revision: 4114

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=4114
Log:
Initial checkin of debichem-tasks.desc for 0.0.4

Added:
    projects/debichem/trunk/debichem/debichem-tasks.desc

Added: projects/debichem/trunk/debichem/debichem-tasks.desc
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/debichem-tasks.desc?rev=4114&op=file
==============================================================================
--- projects/debichem/trunk/debichem/debichem-tasks.desc	(added)
+++ projects/debichem/trunk/debichem/debichem-tasks.desc	Fri Dec  5 16:03:09 2014
@@ -0,0 +1,177 @@
+Task: debichem-abinitio
+Section: debichem
+Description: DebiChem Ab Initio Calculations
+ This metapackage will install packages doing ab initio calculations which
+ might be useful for chemists.
+Relevance: 10
+Key: 
+ debichem-abinitio
+Packages: list
+ mpqc
+ psi3
+ abinit
+ openmx
+ nwchem
+ aces3
+ cp2k
+ quantum-espresso
+ psi4
+ elk-lapw
+ ergo
+
+Task: debichem-cheminformatics
+Section: debichem
+Description: DebiChem Cheminformatics
+ This metapackage will install cheminformatics packages
+ useful for chemists.
+Relevance: 10
+Key: 
+ debichem-cheminformatics
+Packages: list
+ openbabel
+ python-openbabel
+ libcdk-java
+ python-rdkit
+ python-indigo
+ python-cinfony
+ python-fmcs
+ python-chemfp
+ libopsin-java
+
+Task: debichem-crystallography
+Section: debichem
+Description: DebiChem crystallography
+ This metapackage will install packages for crystallography which might be
+ useful for chemists.
+Relevance: 10
+Key: 
+ debichem-crystallography
+Packages: list
+ drawxtl
+ gcrystal
+ python-fabio
+ shelxle
+ xcrysden
+ gamgi
+
+Task: debichem-modelling
+Section: debichem
+Description: DebiChem 3D Molecular Modelling and Visualization
+ This metapackage will install 3D Molecular Modelling and Visualization
+ which might be useful for chemists.
+Relevance: 10
+Key: 
+ debichem-modelling
+Packages: list
+ avogadro
+ pymol
+ python-mmtk
+
+Task: debichem-molmech
+Section: debichem
+Description: DebiChem Molecular Mechanics
+ This metapackage will install Molecular Mechanics
+ which might be useful for chemists.
+Relevance: 10
+Key: 
+ debichem-molmech
+Packages: list
+ adun.app
+ avogadro
+ gromacs
+ lammps
+ votca-csg
+
+Task: debichem-polymer
+Section: debichem
+Description: DebiChem Analytical BioChemistry
+ This metapackage will install packages which enable you to:
+ .
+ - load and convert mass spectrometric data files;
+ - edit biopolymer sequences;
+ - elaborate complex mass spectrometry workflows;
+ - perform protein database searches using tandem-ms data;
+ - view and mine mass spectrometric data;
+ .
+Relevance: 10
+Key: 
+ debichem-polymer
+Packages: list
+ massxpert
+ mmass
+ lutefisk
+ openms
+ libpwiz-tools
+ python-mzml
+ tandem-mass
+ r-cran-maldiquant
+ r-cran-maldiquantforeign
+ r-cran-readbrukerflexdata
+ r-cran-readmzxmldata
+ r-other-curvefdp
+ r-other-nitpick
+ r-cran-mixtools
+ r-other-amsmercury
+ r-other-iwrlars
+
+Task: debichem-semiempirical
+Section: debichem
+Description: DebiChem Semi Empirical
+ This metapackage will install Semi Empirical
+ which might be useful for chemists.
+Relevance: 10
+Key: 
+ debichem-semiempirical
+Packages: list
+ mopac7-bin
+ cp2k
+ molds
+
+Task: debichem-view-edit-2d
+Section: debichem
+Description: DebiChem 2D structure editors
+ This metapackage will install 2D structure editors which might be 
+ useful for chemists.
+Relevance: 10
+Key: 
+ debichem-view-edit-2d
+Packages: list
+ bkchem
+ chemtool
+ easychem
+ gchempaint
+ xdrawchem
+
+Task: debichem-visualisation
+Section: debichem
+Description: DebiChem 3D Viewers and Calculation Output Visualization
+ This metapackage will install 3D Viewers and Calculation Output Visualization
+ which might be useful for chemists.
+Relevance: 10
+Key: 
+ debichem-visualisation
+Packages: list
+ adun.app
+ avogadro
+ cclib
+ gabedit
+ garlic
+ gausssum
+ gdis
+ gdpc
+ jmol
+ qutemol
+ rasmol
+ viewmol
+ xbs
+ xmakemol
+ shelxle
+ xcrysden
+ drawxtl
+ ballview
+ raster3d
+ kalzium
+ gamgi
+ p4vasp
+ travis
+