diff --git a/environment.yml b/environment.yml index 4b9343130..c45d8102a 100644 --- a/environment.yml +++ b/environment.yml @@ -54,3 +54,6 @@ dependencies: - threadpoolctl - pip: - git+https://github.com/OpenFreeEnergy/gufe@main + - run_constrained: + # drop this pin when handled upstream in espaloma-feedstock + - smirnoff99frosst>=1.1.0.1 #https://github.com/openforcefield/smirnoff99Frosst/issues/109