Update dependency data
Andreas Tille
4 years ago
| 0 | {"cheminformatics": {"depends": ["openbabel", "python-openbabel", "libcdk-java", "python-rdkit", "python-indigo", "python-cinfony", "python-fmcs", "python-chemfp", "libopsin-java"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "molecular-abinitio": {"depends": ["mpqc", "psi3", "nwchem", "aces3", "cp2k", "psi4", "elk-lapw", "ergo", "chemps2", "bagel", "mpqc3"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "semiempirical": {"depends": ["mopac7-bin", "cp2k", "molds"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "analytical-biochemistry": {"depends": ["massxpert", "mmass", "lutefisk", "openms", "libpwiz-tools", "python-mzml", "libmstoolkit", "tandem-mass", "r-cran-maldiquant", "r-cran-maldiquantforeign", "r-cran-readbrukerflexdata", "r-cran-readmzxmldata", "biceps", "r-other-curvefdp", "r-other-nitpick", "r-cran-mixtools", "r-other-amsmercury", "r-other-iwrlars"], "suggests": ["libpwiz-dev"], "recommends": [], "ignore": [], "avoid": []}, "molecular-modelling": {"depends": ["avogadro", "ghemical", "pymol", "python-mmtk", "ballview", "nmoldyn"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "development": {"depends": ["libblacs-mpi-dev", "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": [], "recommends": [], "ignore": [], "avoid": []}, "molecular-dynamics": {"depends": ["adun.app", "cp2k", "dl-poly-classic", "gromacs", "lammps", "nwchem", "votca-csg"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "visualisation": {"depends": ["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"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "view-edit-2d": {"depends": ["bkchem", "chemtool", "easychem", "gchempaint", "xdrawchem", "osra"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "periodic-abinitio": {"depends": ["abinit", "openmx", "nwchem", "cp2k", "quantum-espresso", "gpaw"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "input-generation-output-processing": {"depends": ["avogadro", "cclib", "gabedit", "gausssum", "jmol", "viewmol", "xcrysden", "ballview", "p4vasp", "python-ase", "travis"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}, "crystallography": {"depends": ["drawxtl", "gcrystal", "python-fabio", "shelxle", "xcrysden", "gamgi"], "suggests": [], "recommends": [], "ignore": [], "avoid": []}}⏎ |