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Giancarlo Dessì
f7ea463738
academic/avogadrolibs: Patched to fix cmake errors.
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hace 1 año | |
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| README | 78591dd7f4 academic/avogadrolibs: Added (Libraries for Avogadro 2) | hace 2 años |
| avogadrolibs.SlackBuild | f7ea463738 academic/avogadrolibs: Patched to fix cmake errors. | hace 1 año |
| avogadrolibs.info | 8b9f4895be academic/avogadrolibs: Updated for version 1.97.0. | hace 2 años |
| fix_cmake-find-package.diff | 78591dd7f4 academic/avogadrolibs: Added (Libraries for Avogadro 2) | hace 2 años |
| fix_mmtfformat_cpp.diff | f7ea463738 academic/avogadrolibs: Patched to fix cmake errors. | hace 1 año |
| slack-desc | 78591dd7f4 academic/avogadrolibs: Added (Libraries for Avogadro 2) | hace 2 años |
README
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
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