sci-chemistry/avogadrolibs

A chemical editor and visualization application.

Versions

Slot Version Repository Platforms
0 1.102.1 scientific ~amd64 arm? armv7? armv8? x86?

Metadata

Homepage https://github.com/OpenChemistry/avogadrolibs
Summary A chemical editor and visualization application
Description Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Dependencies (
    (
        build:
        sys-devel/cmake[>=3.24.0]
    )
    (
        build:
        dev-libs/json[>=3.3.0]
        sci-libs/eigen:3
        doc? (
            app-doc/doxygen
        )
        qt? (
            dev-lang/python:*[>=3]
        )
        build+run:
        dev-libs/json[>=3.3.0]
        dev-libs/pugixml[>=1.12]
        media-libs/glew
        sci-chemistry/spglib
        x11-dri/mesa
        hdf5? (
            sci-libs/hdf5
        )
        plugindownloader? (
            app-arch/libarchive
        )
        qt? (
            dev-libs/jkqtplotter
            x11-libs/qtbase:6
            x11-libs/qtsvg:6
        )
        symmetry? (
            sci-chemistry/libmsym
        )
        vtk? (
            sci-libs/vtk
            x11-libs/qtbase:6
        )
        test:
        dev-cpp/gtest
        run:
        dev-lang/python:*[>=3]
        qt? (
            sci-chemistry/avogadro-crystals
            sci-chemistry/avogadro-fragments
            sci-chemistry/avogadro-molecules
            sci-libs/molequeue
        )
    )
)
Downloads https://github.com/OpenChemistry/avogadrolibs/archive/1.102.1.tar.gz -> avogadrolibs-1.102.1.tar.gz
Licences BSD-3

Choices

OPTIONS

doc Adds extra documentation (API, Javadoc, etc)
hdf5 Read and write large data in an HDF5 file store
plugindownloader Downloads plugins, molecule data, etc
qt Build Qt modules for Avogadro
symmetry Plugin allowing to work with molecular symmetry
vtk Visualize molecules with the help of VTK