From 529d4627379ba5441ed78b732617aefa5435b0ac Mon Sep 17 00:00:00 2001 From: David Dotson Date: Wed, 6 Nov 2024 17:56:26 -0700 Subject: [PATCH 1/4] Changes to address #292 Ups neo4j testing to use 5.25, updates test environment --- alchemiscale/tests/integration/conftest.py | 2 +- devtools/conda-envs/test.yml | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/alchemiscale/tests/integration/conftest.py b/alchemiscale/tests/integration/conftest.py index c05a7374..054c7d48 100644 --- 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 index 038d6acc..4b81670b 100644 --- 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 @@ -53,6 +54,5 @@ dependencies: - openmmforcefields>=0.14.1 - pip: - - async_lru - - git+https://github.com/datryllic/grolt@neo4j-5.x # neo4j test server deployment + - git+https://github.com/datryllic/grolt@neo4j-5.23-fix # neo4j test server deployment - git+https://github.com/OpenFreeEnergy/openfe-benchmarks From 9fc01ade1192dd1b95b46c977ea1979391824c70 Mon Sep 17 00:00:00 2001 From: David Dotson Date: Wed, 6 Nov 2024 18:00:13 -0700 Subject: [PATCH 2/4] Attempting to drop python-multipart pin from test env This pin was placed due to a broken package on conda-forge; appears resolved now. --- devtools/conda-envs/test.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/devtools/conda-envs/test.yml b/devtools/conda-envs/test.yml index 4b81670b..995194d4 100644 --- a/devtools/conda-envs/test.yml +++ b/devtools/conda-envs/test.yml @@ -31,7 +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 From 926db2e2ef22694e146f5d79af8d7a7fb8f9e76d Mon Sep 17 00:00:00 2001 From: David Dotson Date: Wed, 6 Nov 2024 19:49:36 -0700 Subject: [PATCH 3/4] Switch to using grolt master/main in test env --- devtools/conda-envs/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/devtools/conda-envs/test.yml b/devtools/conda-envs/test.yml index 995194d4..fb61a3a6 100644 --- a/devtools/conda-envs/test.yml +++ b/devtools/conda-envs/test.yml @@ -53,5 +53,5 @@ dependencies: - openmmforcefields>=0.14.1 - pip: - - git+https://github.com/datryllic/grolt@neo4j-5.23-fix # neo4j test server deployment + - git+https://github.com/datryllic/grolt # neo4j test server deployment - git+https://github.com/OpenFreeEnergy/openfe-benchmarks From defa1b6dad8d249c26f0238a90ed75760fa370fe Mon Sep 17 00:00:00 2001 From: David Dotson Date: Wed, 6 Nov 2024 19:52:51 -0700 Subject: [PATCH 4/4] Pinning openff-units to 0.2.2 temporarily --- devtools/conda-envs/test.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/devtools/conda-envs/test.yml b/devtools/conda-envs/test.yml index fb61a3a6..b4853df6 100644 --- a/devtools/conda-envs/test.yml +++ b/devtools/conda-envs/test.yml @@ -51,6 +51,7 @@ dependencies: # additional pins - openmm=8.1.2 - openmmforcefields>=0.14.1 + - openff-units=0.2.2 - pip: - git+https://github.com/datryllic/grolt # neo4j test server deployment