Specification of temporary directory

[lukaswittmann]

The temporary directory is currently taken from

with TemporaryDirectory(prefix="orca_") as temp_dir:

which is taken from the system variable $TMP.
This can lead to issues, e.g., on compute clusters where the TemporaryDirectory should not be the working directory.

This could be addressed by the specification of, e.g., custom_dir via

with tempfile.TemporaryDirectory(prefix="orca_", dir=custom_dir) as temp_dir:

or as a workaround by setting $TMP in the current session.

[marcelmbn]

So currently, one has to set the environment variable in the terminal like?

TMP=/my_custom_dir/ mindlessgen -mc 300 -P 6 [...]

[lukaswittmann]

Correct.

[marcelmbn]

Should also be a quite simple and useful one: Would you be open for looking into it, @jonathan-schoeps?