Make openmm and pdbfixer directly pip-installable

Author: milot-mirdita

poetry.lock

@@ -35,8 +35,10 @@ tqdm = "^4.62.2"
 appdirs = "^1.4.4"
 py3Dmol = { version = "^2.0.1", optional = true }
 dm-tree = { version = "^0.1.9", optional = true }
-dm-haiku = { version = "^0.0.14", optional = true }
+dm-haiku = { version = "^0.0.16", optional = true }
 importlib-metadata = "^8.6.1"
+pdbfixer = { version = "^1.12.0", optional = true }
+openmm = { version = "^8.2.0", optional = true }
 
 [tool.poetry.dev-dependencies]
 # The latest version conflicts with tensorflow over typing-extensions
@@ -46,6 +48,7 @@ pytest = "^6.2.5"
 [tool.poetry.extras]
 alphafold = ["alphafold-colabfold", "jax", "absl-py", "dm-tree", "dm-haiku", "tensorflow-cpu", "tensorflow", "py3Dmol"]
 alphafold-minus-jax = ["alphafold-colabfold", "absl-py", "dm-tree", "dm-haiku", "tensorflow-cpu", "tensorflow", "py3Dmol"]
+openmm = ["openmm", "pdbfixer"]
 
 [tool.pytest.ini_options]
 addopts = "--tb=short"