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Changes to address #292 #323

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merged 4 commits into from
Nov 7, 2024
Merged

Changes to address #292 #323

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529d462
Changes to address #292
dotsdl Nov 7, 2024
9fc01ad
Attempting to drop python-multipart pin from test env
dotsdl Nov 7, 2024
926db2e
Switch to using grolt master/main in test env
dotsdl Nov 7, 2024
defa1b6
Pinning openff-units to 0.2.2 temporarily
dotsdl Nov 7, 2024
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2 changes: 1 addition & 1 deletion alchemiscale/tests/integration/conftest.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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":
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6 changes: 3 additions & 3 deletions devtools/conda-envs/test.yml
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Expand Up @@ -10,6 +10,7 @@ dependencies:
- gufe>=1.0.0
- openfe>=1.1.0
- pydantic<2.0
- async-lru

## state store
- neo4j-python-driver
Expand All @@ -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
Expand All @@ -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
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