Remove openmm patches

aqlaboratory · Oct 17, 2023 · fb34a0c · fb34a0c
1 parent 4fde713
commit fb34a0c
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Showing 4 changed files with 8 additions and 70 deletions.
diff --git a/lib/openmm.patch b/lib/openmm.patch
diff --git a/openfold/np/relax/amber_minimize.py b/openfold/np/relax/amber_minimize.py
@@ -28,18 +28,10 @@
 from openfold.np.relax import cleanup, utils
 import ml_collections
 import numpy as np
-try:
-    # openmm >= 7.6
-    import openmm
-    from openmm import unit
-    from openmm import app as openmm_app
-    from openmm.app.internal.pdbstructure import PdbStructure
-except ImportError:
-    # openmm < 7.6 (requires DeepMind patch)
-    from simtk import openmm
-    from simtk import unit
-    from simtk.openmm import app as openmm_app
-    from simtk.openmm.app.internal.pdbstructure import PdbStructure
+import openmm
+from openmm import unit
+from openmm import app as openmm_app
+from openmm.app.internal.pdbstructure import PdbStructure
 
 ENERGY = unit.kilocalories_per_mole
 LENGTH = unit.angstroms

diff --git a/openfold/np/relax/cleanup.py b/openfold/np/relax/cleanup.py
@@ -20,14 +20,8 @@
 import io
 
 import pdbfixer
-try:
-    # openmm >= 7.6
-    from openmm import app
-    from openmm.app import element
-except ImportError:
-    # openmm < 7.6 (requires DeepMind patch)
-    from simtk.openmm import app
-    from simtk.openmm.app import element
+from openmm import app
+from openmm.app import element
 
 
 def fix_pdb(pdbfile, alterations_info):

diff --git a/openfold/np/relax/utils.py b/openfold/np/relax/utils.py
@@ -18,14 +18,8 @@
 from openfold.np import residue_constants
 from Bio import PDB
 import numpy as np
-try:
-    # openmm >= 7.6
-    from openmm import app as openmm_app
-    from openmm.app.internal.pdbstructure import PdbStructure
-except ImportError:
-    # openmm < 7.6 (requires DeepMind patch)
-    from simtk.openmm import app as openmm_app
-    from simtk.openmm.app.internal.pdbstructure import PdbStructure
+from openmm import app as openmm_app
+from openmm.app.internal.pdbstructure import PdbStructure
 
 
 def overwrite_pdb_coordinates(pdb_str: str, pos) -> str: