Hadrien Mary

Any chance to see this merged?

For the record I am cross-linking to https://github.com/psi4/psi4/issues/2300 since it might solve this kind of issue in the future.

Thanks for the quick answer that is helpful. We recently switched all our internal codebase to conda-forge only since mixing default/anaconda and conda-forge were creating an infinite list of either...

Thanks, guys. I don't want to change my strict channel priority, but I can try to pin it for libxc or change the order and see if it works.

Bumping here as I have the same issue. ```bash $ conda list |grep jupyter jupyter-archive 0.5.5 py_0 conda-forge jupyter_client 5.3.3 py37_1 conda-forge jupyter_conda 3.1.1 py_1 conda-forge jupyter_core 4.6.1 py37_0 conda-forge...

I haven't seen that issue in a while.

Ok thanks (that was my first guess as well). A context manager for this would be nice. I'll try to investigate this more and eventually raise an issue upstream.

Thanks for reporting the bug @colinrsmall. Indeed this is misleading, and we should probably only accept mol or SMARTS objects here (or propose to do the conversion within the function...

Yes, let's get the dgl package first in conda-forge and take care about this one later.

The `dgllife` conda package in the `dglteam` channel is 0.2.6 while the latest version is 0.2.8. Also, the 0.2.6 package is built against py37 maximum. Could you update a new...