jhrmnn / pyberny

Molecular structure optimizer
Mozilla Public License 2.0
110 stars 21 forks source link

what is wrong with providing setup.py? #25

Closed flokno closed 5 years ago

flokno commented 5 years ago

as the title says

jhrmnn commented 5 years ago

Nothing, but it isn't needed. Pyberny uses Poetry for packaging and dependency management.

jhrmnn commented 5 years ago

What do you need setup.py for?

flokno commented 5 years ago

I just wanted to install via python setup.py instal ... and could'nt.

Maybe I should read up on poetry then!

jhrmnn commented 5 years ago

You can install a released version from pypi with pip: pip install pyberny. You can directly use the master branch without installing by having it in sys.path. Or you can use poetry and add the pyberny package as a path or git dependency: https://poetry.eustace.io/docs/cli/#add

flokno commented 5 years ago

ok thanks for clarification