academic/avogadrolibs: Added (Libraries for Avogadro 2)

Signed-off-by: Dave Woodfall <dave@slackbuilds.org>

Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>

1 files changed, 28 insertions, 0 deletions

diff --git a/academic/avogadrolibs/README b/academic/avogadrolibs/README
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+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