Add ORCA 5.0.3

MPI/orca/modulefile

@@ -0,0 +1,24 @@
+#%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