# This file is autogenerated. Do not edit! Source: debichem Maintainer: Debichem Team Uploaders: Michael Banck , Andreas Tille 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.