This release adds
* the ability to directly generate multiple different molecules from SMILES, giving
the stoichiometry for packing into the fluid box.
* specifying the desired cell with the temperature and pressure, along with one of
the volume, length of the box side, number of molecules or number of atoms. This
uses the ideal gas law, so will only be reasonable at higher temperatures and lower
densities.
Additionally, internally the release adds integration tests to check whether the module works properly in the SEAMM environment.