Also updated the openff testing env
name: qcarchive
channels:
- defaults
- - psi4/label/dev
- conda-forge
+ - psi4/label/dev
+ - omnia
dependencies:
- python
@@ -48,3 +49,9 @@ dependencies:
# QCArchive includes
- qcengine >=0.11.0
- qcelemental >=0.13.1
+
+ # MM calculations
+ - openforcefield >=0.7.1
+ - openforcefields >=1.2.0
+ - openmm >=7.4.2
+ - openmmforcefields >=0.8.0
