#%Module1.0

module-whatis           "ORCA"
module-url              "https://www.kofo.mpg.de/en/research/services/orca"
module-license          "See $PREFIX/bin/EULA_ORCA_2021.pdf"
module-maintainer       "Marc Caubet Serrabou <marc.caubet@psi.ch>"
module-help             "
ORCA is a flexible, efficient and easy-to-use general purpose tool for
quantum chemistry with specific emphasis on spectroscopic properties of
open-shell molecules. It features a wide variety of standard quantum 
chemical methods ranging from semiempirical methods to DFT to single- 
and multireference correlated ab initio methods. It can also treat 
environmental and relativistic effects.

Due to the user-friendly style, ORCA is considered to be a helpful tool
not only for computational chemists, but also for chemists, physicists 
and biologists that are interested in developing the full information 
content of their experimental data with help of calculations.
"

setenv          ORCA_PATH       $PREFIX/bin

prepend-path    PATH            $PREFIX/bin
prepend-path    LD_LIBRARY_PATH $PREFIX/bin
