[Blends-commit] r4232 - in /projects/debichem/trunk/debichem: debian/control debichem-tasks.desc

mbanck at users.alioth.debian.org mbanck at users.alioth.debian.org
Sun Aug 30 23:01:13 UTC 2015 

Author: mbanck
Date: Sun Aug 30 23:01:13 2015
New Revision: 4232

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=4232
Log:
  * debian/control, debichem-tasks.desc: Updated.

Modified:
    projects/debichem/trunk/debichem/debian/control
    projects/debichem/trunk/debichem/debichem-tasks.desc

Modified: projects/debichem/trunk/debichem/debian/control
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/debian/control?rev=4232&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/debian/control	(original)
+++ projects/debichem/trunk/debichem/debian/control	Sun Aug 30 23:01:13 2015
@@ -19,85 +19,7 @@
  These tasks are described in detail at
  http://blends.alioth.debian.org/debichem/tasks/
 
-Package: debichem-abinitio
-Section: metapackages
-Architecture: all
-Depends: debichem-tasks (= ${binary:Version})
-Recommends: abinit,
- aces3,
- cp2k,
- elk-lapw,
- ergo,
- mpqc,
- nwchem,
- openmx,
- psi3,
- psi4,
- quantum-espresso
-Description: DebiChem Ab Initio Calculations
- This metapackage will install packages doing ab initio calculations which
- might be useful for chemists.
-
-Package: debichem-cheminformatics
-Section: metapackages
-Architecture: all
-Depends: debichem-tasks (= ${binary:Version})
-Recommends: libcdk-java,
- libopsin-java,
- openbabel,
- python-chemfp,
- python-cinfony,
- python-fmcs,
- python-indigo,
- python-openbabel,
- python-rdkit
-Description: DebiChem Cheminformatics
- This metapackage will install cheminformatics packages
- useful for chemists.
-
-Package: debichem-crystallography
-Section: metapackages
-Architecture: all
-Depends: debichem-tasks (= ${binary:Version})
-Recommends: drawxtl,
- gamgi,
- gcrystal,
- python-fabio,
- shelxle,
- xcrysden
-Description: DebiChem crystallography
- This metapackage will install packages for crystallography which might be
- useful for chemists.
-
-Package: debichem-modelling
-Section: metapackages
-Architecture: all
-Depends: debichem-tasks (= ${binary:Version})
-Recommends: avogadro,
- pymol,
- python-mmtk
-Suggests: ghemical,
- nmoldyn
-Description: DebiChem 3D Molecular Modelling and Visualization
- This metapackage will install 3D Molecular Modelling and Visualization
- which might be useful for chemists.
-
-Package: debichem-molmech
-Section: metapackages
-Architecture: all
-Depends: debichem-tasks (= ${binary:Version})
-Recommends: adun.app,
- avogadro,
- gromacs,
- lammps,
- votca-csg
-Suggests: ghemical,
- vmd
-Description: DebiChem Molecular Mechanics
- This metapackage will install Molecular Mechanics
- which might be useful for chemists.
-
-Package: debichem-polymer
+Package: debichem-analytical-biochemistry
 Section: metapackages
 Architecture: all
 Depends: debichem-tasks (= ${binary:Version})
@@ -130,6 +52,138 @@
  - view and mine mass spectrometric data;
  .
 
+Package: debichem-cheminformatics
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: libcdk-java,
+ libopsin-java,
+ openbabel,
+ python-chemfp,
+ python-cinfony,
+ python-fmcs,
+ python-indigo,
+ python-openbabel,
+ python-rdkit
+Description: DebiChem Cheminformatics
+ This metapackage will install cheminformatics packages
+ useful for chemists.
+
+Package: debichem-crystallography
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: drawxtl,
+ gamgi,
+ gcrystal,
+ python-fabio,
+ shelxle,
+ xcrysden
+Description: DebiChem crystallography
+ This metapackage will install packages for crystallography which might be
+ useful for chemists.
+
+Package: debichem-development
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: libblacs-mpi-dev,
+ libblas-dev,
+ libelpa-dev,
+ libfftw3-dev,
+ libint-dev,
+ liblapack-dev,
+ libmadness-dev,
+ libsc-dev,
+ libscalapack-mpi-dev,
+ libxc-dev,
+ mpi-default-dev
+Suggests: libint2-dev,
+ libpsi3-dev,
+ libtiledarray-dev
+Description: DebiChem C/C++/Fortran Development
+ This metapackage will install development packages
+ useful for chemists.
+
+Package: debichem-input-generation-output-processing
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: avogadro,
+ ballview,
+ cclib,
+ gabedit,
+ gausssum,
+ jmol,
+ p4vasp,
+ python-ase,
+ travis,
+ viewmol,
+ xcrysden
+Description: DebiChem input preparation and output processing
+ This metapackage will install graphical frontends and input generators/output
+ processors for computational chemistry packages which might be useful for
+ chemists.
+
+Package: debichem-modelling
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: avogadro,
+ ballview,
+ ghemical,
+ pymol,
+ python-mmtk
+Suggests: nmoldyn
+Description: DebiChem 3D Molecular Modelling and Visualization
+ This metapackage will install 3D Molecular Modelling and Visualization
+ which might be useful for chemists.
+
+Package: debichem-molecular-abinitio
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: aces3,
+ cp2k,
+ elk-lapw,
+ ergo,
+ mpqc,
+ nwchem,
+ psi3,
+ psi4
+Suggests: libchemps2
+Description: DebiChem Ab Initio Calculations
+ This metapackage will install packages doing ab initio calculations which
+ might be useful for chemists.
+
+Package: debichem-molecular-dynamics
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: adun.app,
+ cp2k,
+ gromacs,
+ lammps,
+ nwchem,
+ votca-csg
+Suggests: dl-poly-classic
+Description: DebiChem Molecular Mechanics
+ This metapackage will install Molecular Mechanics
+ which might be useful for chemists.
+
+Package: debichem-periodic-abinitio
+Section: metapackages
+Architecture: all
+Depends: debichem-tasks (= ${binary:Version})
+Recommends: abinit,
+ cp2k,
+ nwchem,
+ openmx,
+ quantum-espresso
+Description: DebiChem Ab Initio Calculations
+ This metapackage will install packages doing ab initio calculations which
+ might be useful for chemists.
+
 Package: debichem-semiempirical
 Section: metapackages
 Architecture: all
@@ -151,8 +205,8 @@
  gchempaint,
  xdrawchem
 Suggests: osra
-Description: DebiChem 2D structure editors
- This metapackage will install 2D structure editors which might be 
+Description: DebiChem chemical formular/structure editors
+ This metapackage will install drawers for chemical structures which might be 
  useful for chemists.
 
 Package: debichem-visualisation
@@ -177,13 +231,11 @@
  rasmol,
  raster3d,
  shelxle,
- travis,
+ v-sim,
  viewmol,
  xbs,
  xcrysden,
  xmakemol
-Suggests: v-sim
-Description: DebiChem 3D Viewers and Calculation Output Visualization
- This metapackage will install 3D Viewers and Calculation Output Visualization
- which might be useful for chemists.
-
+Description: DebiChem 3D Viewers
+ This metapackage will install 3D Viewers which might be useful for chemists.
+

Modified: projects/debichem/trunk/debichem/debichem-tasks.desc
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/debichem-tasks.desc?rev=4232&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/debichem-tasks.desc	(original)
+++ projects/debichem/trunk/debichem/debichem-tasks.desc	Sun Aug 30 23:01:13 2015
@@ -1,88 +1,4 @@
-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
+Task: debichem-analytical-biochemistry
 Section: debichem
 Description: DebiChem Analytical BioChemistry
  This metapackage will install packages which enable you to:
@@ -95,7 +11,7 @@
  .
 Relevance: 10
 Key: 
- debichem-polymer
+ debichem-analytical-biochemistry
 Packages: list
  massxpert
  mmass
@@ -114,6 +30,148 @@
  r-other-amsmercury
  r-other-iwrlars
 
+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-development
+Section: debichem
+Description: DebiChem C/C++/Fortran Development
+ This metapackage will install development packages
+ useful for chemists.
+Relevance: 10
+Key: 
+ debichem-development
+Packages: list
+ libblacs-mpi-dev
+ libblas-dev
+ libelpa-dev
+ libfftw3-dev
+ libint-dev
+ liblapack-dev
+ libmadness-dev
+ libsc-dev
+ libscalapack-mpi-dev
+ libxc-dev
+ mpi-default-dev
+
+Task: debichem-input-generation-output-processing
+Section: debichem
+Description: DebiChem input preparation and output processing
+ This metapackage will install graphical frontends and input generators/output
+ processors for computational chemistry packages which might be useful for
+ chemists.
+Relevance: 10
+Key: 
+ debichem-input-generation-output-processing
+Packages: list
+ avogadro
+ cclib
+ gabedit
+ gausssum
+ jmol
+ viewmol
+ xcrysden
+ ballview
+ p4vasp
+ python-ase
+ travis
+
+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
+ ghemical
+ pymol
+ python-mmtk
+ ballview
+
+Task: debichem-molecular-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-molecular-abinitio
+Packages: list
+ mpqc
+ psi3
+ nwchem
+ aces3
+ cp2k
+ psi4
+ elk-lapw
+ ergo
+
+Task: debichem-molecular-dynamics
+Section: debichem
+Description: DebiChem Molecular Mechanics
+ This metapackage will install Molecular Mechanics
+ which might be useful for chemists.
+Relevance: 10
+Key: 
+ debichem-molecular-dynamics
+Packages: list
+ adun.app
+ cp2k
+ gromacs
+ lammps
+ nwchem
+ votca-csg
+
+Task: debichem-periodic-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-periodic-abinitio
+Packages: list
+ abinit
+ openmx
+ nwchem
+ cp2k
+ quantum-espresso
+
 Task: debichem-semiempirical
 Section: debichem
 Description: DebiChem Semi Empirical
@@ -129,8 +187,8 @@
 
 Task: debichem-view-edit-2d
 Section: debichem
-Description: DebiChem 2D structure editors
- This metapackage will install 2D structure editors which might be 
+Description: DebiChem chemical formular/structure editors
+ This metapackage will install drawers for chemical structures which might be 
  useful for chemists.
 Relevance: 10
 Key: 
@@ -144,9 +202,8 @@
 
 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.
+Description: DebiChem 3D Viewers
+ This metapackage will install 3D Viewers which might be useful for chemists.
 Relevance: 10
 Key: 
  debichem-visualisation
@@ -162,6 +219,7 @@
  jmol
  qutemol
  rasmol
+ v-sim
  viewmol
  xbs
  xmakemol
@@ -173,5 +231,4 @@
  kalzium
  gamgi
  p4vasp
- travis
-
+

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