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fix version checks
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IAlibay committed Jul 21, 2024
1 parent ecc8a50 commit 72431cc
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Showing 3 changed files with 5 additions and 5 deletions.
6 changes: 3 additions & 3 deletions .github/workflows/ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -41,7 +41,7 @@ jobs:
- "3.11"
- "3.12"
openeye: ["no"]
ommff-version: ["0.13"]
ommff-version: [">0.13"]
include:
- os: "macos-12"
python-version: "3.12"
Expand All @@ -57,11 +57,11 @@ jobs:
python-version: "3.10"
pydantic-version: ">1"
openeye: "no"
ommff-version: "<0.13"
ommff-version: "0.13"
- os: "macos-latest"
python-version: "3.12"
pydantic-version: ">1"
omff-version: "0.13"
omff-version: ">0.13"
openeye: ["no"]

env:
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2 changes: 1 addition & 1 deletion openfe/tests/protocols/test_openmm_equil_rfe_protocols.py
Original file line number Diff line number Diff line change
Expand Up @@ -257,7 +257,7 @@ def test_dry_run_gaff_vacuum(benzene_vacuum_system, toluene_vacuum_system,

gaff_should_fail = version.parse(
ommff_version
) >= version.parse("0.13.0")
) == version.parse("0.13.0")

if gaff_should_fail:
from openmmforcefields.generators.template_generators import (
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2 changes: 1 addition & 1 deletion openfe/tests/protocols/test_openmm_plain_md_protocols.py
Original file line number Diff line number Diff line change
Expand Up @@ -188,7 +188,7 @@ def test_dry_run_gaff_vacuum(benzene_vacuum_system, tmpdir):

gaff_should_fail = version.parse(
ommff_version
) >= version.parse("0.13.0")
) == version.parse("0.13.0")

if gaff_should_fail:
from openmmforcefields.generators.template_generators import (
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