Cleaning imports and adding dependencies

OpenFreeEnergy · Nov 8, 2023 · 1aa4202 · 1aa4202
1 parent 40c966b
commit 1aa4202
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Showing 2 changed files with 4 additions and 2 deletions.
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -5,7 +5,11 @@ channels:
 dependencies:
     # Base depends
   - gufe
+  - numpy
   - openfe  # TODO: Remove once we don't depend on openfe
+  - openff-units
+  - openmm
+  - pymbar
   - python
   - pip
 

diff --git a/feflow/protocols/nonequilibrium_cycling.py b/feflow/protocols/nonequilibrium_cycling.py
@@ -118,9 +118,7 @@ def _execute(self, ctx, *, state_a, state_b, mapping, settings, **inputs):
             trajectory coordinates for systems A and B.
         """
         # needed imports
-        import numpy as np
         import openmm
-        import openmm.unit as openmm_unit
         from openff.units.openmm import ensure_quantity
         from openmmtools.integrators import PeriodicNonequilibriumIntegrator
         from gufe.components import SmallMoleculeComponent