[Blends-commit] r4249 - in /projects/debichem/trunk/debichem: debian/changelog debian/control debichem-tasks.desc

tille at users.alioth.debian.org tille at users.alioth.debian.org
Thu Nov 24 16:44:27 UTC 2016 

Author: tille
Date: Thu Nov 24 16:44:25 2016
New Revision: 4249

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=4249
Log:
rebuild using blends-dev 0.6.95

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

Modified: projects/debichem/trunk/debichem/debian/changelog
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/debian/changelog?rev=4249&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/debian/changelog	(original)
+++ projects/debichem/trunk/debichem/debian/changelog	Thu Nov 24 16:44:25 2016
@@ -1,5 +1,6 @@
 debichem (0.0.6) UNRELEASED; urgency=medium
 
+  [ Michael Banck ]
   * tasks/modelling: Added ballview.
   * tasks/visualization: Removed travis.
   * tasks/view-edit-2d: Update task title and description.
@@ -21,6 +22,9 @@
   * tasks/periodic-abinitio: Added gpaw.
   * tasks/molecular-abinitio: Added mpqc3.
   * tasks/development: Added libga-dev.
+
+  [ Andreas Tille ]
+  * rebuild using blends-dev 0.6.95
 
  -- Michael Banck <mbanck at debian.org>  Mon, 08 Dec 2014 20:57:15 +0100
 

Modified: projects/debichem/trunk/debichem/debian/control
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/debian/control?rev=4249&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/debian/control	(original)
+++ projects/debichem/trunk/debichem/debian/control	Thu Nov 24 16:44:25 2016
@@ -28,7 +28,6 @@
  massxpert,
  mmass,
  openms,
- python-mzml,
  r-cran-maldiquant,
  r-cran-maldiquantforeign,
  r-cran-mixtools,
@@ -41,7 +40,8 @@
  tandem-mass
 Suggests: biceps,
  libmstoolkit,
- libpwiz-dev
+ libpwiz-dev,
+ python-mzml
 Description: DebiChem Analytical BioChemistry
  This metapackage will install packages which enable you to:
  .
@@ -91,16 +91,17 @@
  libblas-dev,
  libelpa-dev,
  libfftw3-dev,
+ libga-dev,
  libint-dev,
+ libint2-dev,
  liblapack-dev,
  libmadness-dev,
+ libpsi3-dev,
  libsc-dev,
  libscalapack-mpi-dev,
+ libtiledarray-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.
@@ -132,9 +133,9 @@
 Recommends: avogadro,
  ballview,
  ghemical,
- pymol,
+ pymol
+Suggests: nmoldyn,
  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.
@@ -144,14 +145,16 @@
 Architecture: all
 Depends: debichem-tasks (= ${binary:Version})
 Recommends: aces3,
+ bagel,
+ chemps2,
  cp2k,
  elk-lapw,
  ergo,
  mpqc,
+ mpqc3,
  nwchem,
  psi3,
  psi4
-Suggests: libchemps2
 Description: DebiChem Molecular Ab Initio Calculations
  This metapackage will install packages doing molecular ab initio calculations
  which might be useful for chemists.
@@ -177,6 +180,7 @@
 Depends: debichem-tasks (= ${binary:Version})
 Recommends: abinit,
  cp2k,
+ gpaw,
  nwchem,
  openmx,
  quantum-espresso

Modified: projects/debichem/trunk/debichem/debichem-tasks.desc
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/debichem-tasks.desc?rev=4249&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/debichem-tasks.desc	(original)
+++ projects/debichem/trunk/debichem/debichem-tasks.desc	Thu Nov 24 16:44:25 2016
@@ -1,4 +1,11 @@
+Task: debichem
+Relevance: 7
+Section: debichem
+Description: Debian Debichem Pure Blend
+ .
+
 Task: debichem-analytical-biochemistry
+Parent: debichem
 Section: debichem
 Description: DebiChem Analytical BioChemistry
  This metapackage will install packages which enable you to:
@@ -9,226 +16,105 @@
  - perform protein database searches using tandem-ms data;
  - view and mine mass spectrometric data;
  .
-Relevance: 10
 Key: 
  debichem-analytical-biochemistry
-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-cheminformatics
+Parent: debichem
 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
+Parent: debichem
 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
+Parent: debichem
 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
+Parent: debichem
 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
+Parent: debichem
 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
+Parent: debichem
 Section: debichem
 Description: DebiChem Molecular Ab Initio Calculations
  This metapackage will install packages doing molecular 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
+Parent: debichem
 Section: debichem
 Description: DebiChem Molecular Dynamics
  This metapackage will install Molecular Dynamics packages
  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
+Parent: debichem
 Section: debichem
 Description: DebiChem Periodic Ab Initio Calculations
  This metapackage will install packages doing periodic 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
+Parent: debichem
 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
+Parent: debichem
 Section: debichem
 Description: DebiChem chemical formular/structure editors
  This metapackage will install drawers for chemical structures which might be 
  useful for chemists.
-Relevance: 10
 Key: 
  debichem-view-edit-2d
-Packages: list
- bkchem
- chemtool
- easychem
- gchempaint
- xdrawchem
 
 Task: debichem-visualisation
+Parent: debichem
 Section: debichem
 Description: DebiChem 3D Viewers
  This metapackage will install 3D Viewers 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
- v-sim
- viewmol
- xbs
- xmakemol
- shelxle
- xcrysden
- drawxtl
- ballview
- raster3d
- kalzium
- gamgi
- p4vasp

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