Mopac-step

* Added ability to do the various types of CI calculations that MOPAC supports.
* Improved the handling of TS calculations and added NLLSQ and SIGMA methods in
the optimization step.
* Added option to correctly handle transition states in the thermodynamics step and
improved the output to include the imaginary and low-lying frequencies.

* Fixed a bug in the bond analysis that caused the code to crash for calculations on
atoms.
* Fixed a bug in the mopac.ini file created if it did not exists that caused the code
to crash when the calculation was run.

* To support the Energy Scan step.

* Updated the installation to reflect the new way to install SEAMM plug-ins to support
both Conda and Docker

2024.1.16 -- Added support for containers.
* Added access to the new PM6-ORG parameterization and made it the default, though PM7
is still preferred for materials simulation. PM6-ORG handle organic and biomolecules
well.
* Made the Lewis structure analysis more robust and added information to the output.
* Provided an option for the Lewis structure calculation to set the charge of the
system to that calculaed by the Lewis structure.
* Added support for containers
* Made default to run serially, since parallel doesn't provide much benefit.
* Fixed bug in analysis if optimization doesn't converge.

* Added a flag to prepare the input but not run the calculation.

* Added PM6-ORG Hamiltonian to options
* Added other new data types for the AUX file.