mopac
mopac copied to clipboard
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.