It would be nice to relax the version dependencies in the pyproject.toml but fixing them in the requirement.txt files.
The main issue if we fix all the versions in pyproject.toml:
-
Practically it is impossible to install
nomad-labpackage into an existing python environment eg using a jupyter docker image...- it doesn't make sense to uninstall and reinstall different version of numpy pandas just because you want to do a query...
- use
--no-dependenciesto ignore package dependencies but then it is hard to install the necessary packages manually...
-
Obviously it is the easy way to setup an python environment from scratch but for that purpose you can use the
requirement.txtfiles