Hello, welcome to the computational chemistry starterpack. This starterpacks main goal is to prevent new students (and others!) from spending too much time on being able to run software. Two other defined goals are to create a centralized space for defining our software stack and streamlining discussions about our software stack.
What it is not is a one-size fits all solution! Do you need a very specific package or are you running your own compiled versions of specific software? Than it is your responsibility to do that yourself. This starterpack does intend to supply you with the environment .yaml file for conda and spack, such that you have a startpoint for your own customized environment.
Maintaining this package is done by the computational chemistry students, but no promise for tech support is given.
For general Carbon documentation see: https://www.compchem.nl/wiki/index.php/Main_Page
In the directory batchscripts you will find some standard batch scripts for running some of our favourite applications on Carbon. In the directory envs we manage our default software stack with a .yaml for both conda and spack.