Packmol-step

* The configuration for the executable was not set up correctly.
* There was a bug due to change in the SMILES interface for configurations.

* The initial setup of the packmol.ini file did not add the information for
Conda. This release fixes that problem.

2024.6.29 -- Bugfix: bonding incorrect in some cases.
* The use of PDB with Packmol could in some cases lead to multiple bonds in the
wrong place. This release fixes that problem.

2024.6.21.2 -- Another internal release for Docker.

* There was an internal issue creating the Docker image.

* Using RDKit for SMILES since we found some issues with OpenBabel, and also the
atom typing uses RDKit, so this is more compatible.

* packmol-step-installer now uses the new scheme, which supports both Conda and
Docker installation.
* Added seamm-packmol Docker image

* Added the ability to work in Docker containers.

2023.9.6 -- Using fractional coordinates for periodic systems.
* By convention, SEAMM is using fractional coordinates for periodic systems. The
PACKMOL step was creating periodic structures with Cartesian coordinates, which
can be a bit confusing, though it did not affect any reauls. This change fixes the
issue.

2023.2.15 -- Restructured documentation and moved to new theme.