The new year starts with a progress update on the ergonomics aspects of the work of ENCCS with VeloxChem. In the previous progress meeting, we described the aim of VeloxChem to provide a platform that is equally well-suited for experienced practitioners and learners of quantum chemistry, due to its ease of use and ease of development. In order to make the code as easily accessible as possible, we developed a binary package distributed through Anaconda.org and installable using the popular package and environment manager conda. An isolated environment with VeloxChem and its dependencies can be created with the following commands:
$ conda create -n vlxenv veloxchem -c robertodr -c conda-forge $ conda activate vlxenv
The binary package is, for the moment, available for the GNU/Linux and macOS platforms.
For more information visit https://veloxchem.org.