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debichem 0.0.11
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# This file is autogenerated. Do not edit!
Source: debichem
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>,
           Andreas Tille <tille@debian.org>
Section: misc
Priority: optional
Build-Depends-Indep:
 blends-dev (>= 0.6.95),
Build-Depends:
 debhelper-compat (= 12),
Standards-Version: 4.4.1
Vcs-Browser: https://salsa.debian.org/blends-team/debichem
Vcs-Git: https://salsa.debian.org/blends-team/debichem.git
Homepage: https://salsa.debian.org/blends-team/debichem
Rules-Requires-Root: no

Package: debichem-tasks
Architecture: all
Depends: tasksel, ${misc:Depends}
Description: DebiChem tasks for tasksel
 This package provides DebiChem tasks in tasksel.
 .
 These tasks are described in detail at
 http://blends.alioth.debian.org/debichem/tasks/

Package: debichem-analytical-biochemistry
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: libmstoolkit-tools,
            libpwiz-tools,
            lutefisk,
            massxpert,
            minexpert2,
            openms,
            python3-pymzml,
            r-cran-maldiquant,
            r-cran-maldiquantforeign,
            r-cran-mixtools,
            r-cran-readbrukerflexdata,
            r-cran-readmzxmldata,
            r-other-amsmercury,
            r-other-curvefdp,
            r-other-iwrlars,
            r-other-nitpick,
            tandem-mass,
            toppic,
            xtpcpp
Suggests: biceps,
          libisospec++-dev,
          libpwiz-dev,
          libpwizlite-dev,
          mmass
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;
  - visualize and explore mass spectrometric data;
  - simulate isotopic clusters;
  - implement proteomics workflows.

Package: debichem-cheminformatics
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: libcdk-java,
            libopenchemlib-java,
            libopsin-java,
            openbabel,
            python3-indigo,
            python3-openbabel,
            python3-rdkit
Suggests: python3-cinfony
Description: DebiChem Cheminformatics
 This metapackage will install cheminformatics packages
 useful for chemists.

Package: debichem-crystallography
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: drawxtl,
            gamgi,
            gcrystal,
            python3-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: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: libblas-dev,
            libelpa-dev,
            libfftw3-dev,
            libga-dev,
            libint-dev,
            libint2-dev,
            liblapack-dev,
            libmadness-dev,
            libopenmm-dev,
            libpsi3-dev,
            libsc-dev,
            libscalapack-mpi-dev,
            libsymspg-dev,
            libtiledarray-dev,
            libxc-dev,
            mpi-default-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: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: ase,
            avogadro,
            ballview,
            c2x,
            cclib,
            gabedit,
            gausssum,
            jmol,
            python3-pycifrw,
            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-molecular-abinitio
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: aces3,
            bagel,
            chemps2,
            cp2k,
            elk-lapw,
            ergo,
            mpqc,
            mpqc3,
            nwchem,
            psi3,
            psi4
Description: DebiChem Molecular Ab Initio Calculations
 This metapackage will install packages doing molecular ab initio calculations
 which might be useful for chemists.

Package: debichem-molecular-dynamics
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: adun.app,
            cp2k,
            gromacs,
            lammps,
            nwchem,
            votca-csg
Suggests: dl-poly-classic
Description: DebiChem Molecular Dynamics
 This metapackage will install Molecular Dynamics packages
 which might be useful for chemists.

Package: debichem-molecular-modelling
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: avogadro,
            ballview,
            ghemical,
            mmb,
            openstructure,
            pymol
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-periodic-abinitio
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: abinit,
            cp2k,
            gpaw,
            nwchem,
            openmx,
            quantum-espresso,
            wannier90
Description: DebiChem Periodic Ab Initio Calculations
 This metapackage will install packages doing periodic ab initio calculations
 which might be useful for chemists.

Package: debichem-semiempirical
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: cp2k,
            molds,
            mopac7-bin
Description: DebiChem Semi Empirical
 This metapackage will install Semi Empirical
 which might be useful for chemists.

Package: debichem-view-edit-2d
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: bkchem,
            chemtool,
            easychem,
            gchempaint,
            xdrawchem
Suggests: osra
Description: DebiChem chemical formular/structure editors
 This metapackage will install drawers for chemical structures which might be
 useful for chemists.

Package: debichem-visualisation
Section: metapackages
Architecture: all
Depends: ${misc:Depends},
         debichem-tasks (= ${source:Version})
Recommends: adun.app,
            avogadro,
            ballview,
            cclib,
            drawxtl,
            gabedit,
            gamgi,
            garlic,
            gausssum,
            gdis,
            gdpc,
            jmol,
            kalzium,
            qutemol,
            rasmol,
            raster3d,
            shelxle,
            v-sim,
            viewmol,
            xbs,
            xcrysden,
            xmakemol
Description: DebiChem 3D Viewers
 This metapackage will install 3D Viewers which might be useful for chemists.