Open orbeckst opened 4 weeks ago
The clean solution is to properly use entrypoints, which would require refactoring the scripts into a gromacs.scripts
module with main()
functions. However, the scripts are likely not used much and it's too much work to refactor and adding tests.
Therefore, I will not include them, see if anyone complains, and probably eventually remove them.
Also note that these scripts never had tests so one has to consider them broken...
The
gw-*.py
scripts are not installed in the bin directory.With the switch to pyproject.toml #278 and modern versions of setuptools, we cannot use
because with
python -m build
we get an errorBackground
setup.py
just for scripts and that would likely work, but I want to make a clean break