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avogadrolibs.info | ||
avogadrolibs.SlackBuild | ||
fix_cmake-find-package.diff | ||
fix_mmtfformat_cpp.diff | ||
README | ||
slack-desc |
Avogadro Libraries is a subproject of Avogadro 2 as implementation of Avogadro 1.x mantained by OpenChemistry. It provides 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. Avogadro Libraries is a dependency required by the graphic interface user Avogadro Application (avogadroapp). This slackbuild requires as needed some dependencies (autodetected) that improve Avogadro Libraries. You can enable or disable them by passing variables to the script (e.g. VAR=yes|no ./avogadrolibs.SlackBuild): LIBMSYM=yes|no (default: yes, libmsym required) SPGLIB=yes|no (default: yes, spglib required) MMTF=yes|no (default: yes, mmtf-cpp required) HDF5=yes|no (default: no, hdf5 required) VTK=yes|no (default: no, VTK required) The extension Avogadro Generators (disabled by default) installs Python input generators that can be run by the Avogadro 2 application (avogadroapp) to generate input for various codes (Dalton, Q-Chem, Orca, NWChem, ecc.): these scripts will be installed in a location where the Avogadro 2 application can find them if the Plugin Downloader is executed from the graphic interface user. To enable the extension the dependency pybind11 is required and you have to pass the variable PYTHON=yes to the slackbuild script: PYTHON=yes ./avogadrolibs.SlackBuild WARNING: the build enabling the support of VTK libraries works only with VTK < 9.0 or VTK >= 9.2.6. The build against VTK 9.0.x fails. Other versions of VTK 9.x earlier than 9.2.6 are not tested. Since Avogadro 2 version 1.98.0, the build requires cmake at version 3.24 or greater. This version is the latest compatible with Slackware 15.0 that has cmake remained at the version 3.21.