Modules

Revision as of 23:29, 24 January 2024 by Modeller Caretaker (talk | contribs) (Add example modulefile)
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It is straightforward to set up Modeller to work with the module command, for example as provided by Environment modules or Lmod. Here is an example modulefile:

#%Module 1.0

module-whatis "Description: MODELLER comparative modeling"
module-whatis "URL: https://salilab.org/modeller/"
set topdir <MODELLER INSTALL DIR>
prepend-path  PATH            ${topdir}/bin
prepend-path  LD_LIBRARY_PATH ${topdir}/lib/x86_64-intel8
prepend-path  PYTHONPATH      ${topdir}/lib/x86_64-intel8
prepend-path  PYTHONPATH      ${topdir}/modlib
prepend-path  PKG_CONFIG_PATH ${topdir}/lib/x86_64-intel8/pkgconfig

Replace <MODELLER INSTALL DIR> with the directory where you installed Modeller, and put the resulting file somewhere in your system's MODULEPATH.