Upstream sync - #53

buildx failed with: ERROR: failed to build: failed to solve: process "/bin/bash -o pipefail -c conda install -y -c conda-forge conda-forge::openff-toolkit-examples=0.19.0 conda-forge::openff-interchange=0.5.4 conda-forge::packmol=21.2.1 conda-forge::ambertools=26.0 conda-forge::MDAnalysis=2.10.0 conda-forge::prolif=2.2.1 conda-forge::py3dmol=2.5.4 conda-forge::openbabel=3.2.1" did not complete successfully: exit code: 1