ORCA (quantum chemistry program)

This article concerns ORCA general purpose tool for quantum chemistry(https://orcaforum.kofo.mpg.de/)

The ORCA software requires a license to use it. So the recommended way is to install it yourself. As installing it yourself involves analyzing the binary to figure out which modules it is compatible with, some users might face difficulties. Until we find easier solutions for the issues, we will maintain the central installation.

Use the central installation

If you can not install it yourself or face issues when trying, we will maintain a central installation for the time being but access to this module is restricted.

We have installed this software centrally but the access is restricted. This is to adhere to the licence terms of ORCA. The developers do not have a systematic procedure for obtaining the licence, so the only way at the moment is to agree to the end user licence agreement (EULA) at the ORCA site and download a copy of the software for yourself, to your computer (e.g. your laptop). You do not need to install the software, just download it so you will have a chance to agree to the terms.

The steps:

  • Create an account in https://orcaforum.kofo.mpg.de/

  • Login to the site when your account is active

  • Navigate to the Download section of https://orcaforum.kofo.mpg.de/ and download a copy for yourself and read and agree to terms of EULA (end user licence agreement )

  • You do not need to install the software, above is to agree to the EULA terms.

  • Then forward the confirmation mail from ORCA to contact@sigma2.no and request access.

We are sorry that the way to obtain a licence for ORCA is not obvious. But that is the only way at the moment. You can get more details from the below thread (you need an ORCA account to read this)


If you have further questions please ask the ORCA forum available from the above link.