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Diffstat (limited to 'academic/avogadrolibs/README')
| -rw-r--r-- | academic/avogadrolibs/README | 28 |
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diff --git a/academic/avogadrolibs/README b/academic/avogadrolibs/README new file mode 100644 index 0000000000..4877412d76 --- /dev/null +++ b/academic/avogadrolibs/README @@ -0,0 +1,28 @@ +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) + +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 |