Merge branch 'main' into issue-297

OpenFreeEnergy · Nov 7, 2024 · 91f243b · 91f243b
2 parents df0e355 + 6d2dd5a
commit 91f243b
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diff --git a/alchemiscale/tests/integration/conftest.py b/alchemiscale/tests/integration/conftest.py
@@ -103,7 +103,7 @@ def generate_uri(self, service_name=None):
 
 # TODO: test with full certificates
 neo4j_deployment_profiles = [
-    DeploymentProfile(release=(5, 16), topology="CE", schemes=["bolt"]),
+    DeploymentProfile(release=(5, 25), topology="CE", schemes=["bolt"]),
 ]
 
 if NEO4J_VERSION == "LATEST":

diff --git a/devtools/conda-envs/test.yml b/devtools/conda-envs/test.yml
@@ -10,6 +10,7 @@ dependencies:
   - gufe>=1.0.0
   - openfe>=1.1.0
   - pydantic<2.0
+  - async-lru
 
   ## state store
   - neo4j-python-driver
@@ -30,7 +31,6 @@ dependencies:
   - python-jose
   - passlib
   - bcrypt
-  - python-multipart=0.0.12    # temporarily pinned due to broken 0.14 release on conda-forge
   - starlette
   - httpx
   - cryptography
@@ -51,8 +51,8 @@ dependencies:
   # additional pins
   - openmm=8.1.2
   - openmmforcefields>=0.14.1
+  - openff-units=0.2.2
 
   - pip:
-    - async_lru
-    - git+https://github.com/datryllic/grolt@neo4j-5.x # neo4j test server deployment
+    - git+https://github.com/datryllic/grolt # neo4j test server deployment
     - git+https://github.com/OpenFreeEnergy/openfe-benchmarks