📝 Add new exception for calc_minimize.

[KuhnMn]

Solution for #696. Add a new exception to the calc_minimize method that is raised when pressure is about to be calculated while the rotation_matrix is None. This would raise an exception anyways, but with a more generic message.

[KuhnMn]

Hello, I am having some issues understanding the failing workflows.
From the logs, the issue in both cases seems to be that the setuptools_scm module is not found. However, I changed nothing regarding the packages or modules of the project. With this being my first contribution, I'd appreciate some help in fixing the pipeline issues.
Thank you in advance!

[jan-janssen]

Hi @KuhnMn ,

Unfortunately, we currently have an issue with the mpi_api package pyiron_atomistics depends on:
pyiron/pyiron_base#983

We are working on fixing this as soon as possible.

Best,

Jan

[KuhnMn]

Hi, @jan-janssen

thank you for the clarification!

Best,

Maximilian

[jan-janssen]

It is fixed

[KuhnMn]

Thanks a lot, that resolved the last checks not passing!

[jan-janssen]

Looks good to me