Updated qcarchive_worker_openff environment
@@ -3,6 +3,7 @@ channels:
- defaults
- conda-forge
- psi4/label/dev
+ - omnia
dependencies:
- python <=3.7
- qcfractal
@@ -12,10 +13,16 @@ dependencies:
- dftd3
- gcp
- rdkit
- - qcengine >=0.13.0
+ - qcengine >=0.15.0
# Procedures
- geometric
# Testing
- pytest
+
+ # MM calculations
+ - openforcefield >=0.7.1
+ - openforcefields >=1.2.0
+ - openmm >=7.4.2
+ - openmmforcefields >=0.8.0
