rapodaca/openmopac

Molecular Orbital PACkage

The modern open-source version of the Molecular Orbital PACkage (MOPAC).

This version contains a CMake build script and compiles a shared library in addition to an executable for integration with other software.

Self-contained installers for Linux, Mac, and Windows are available for each release.

While the installers are meant to be run from a desktop environment by default, they can also be run from a command line without user input. On Linux, the basic command-line installation syntax is:

./mopac-x.y.z-linux.run install --accept-licenses --confirm-command --root type_installation_directory_here

For more information on command-line installation, see the Qt Installer Framework Documentation.