diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 227ebae12..a8e3bd109 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -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" @@ -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: diff --git a/openfe/tests/protocols/test_openmm_equil_rfe_protocols.py b/openfe/tests/protocols/test_openmm_equil_rfe_protocols.py index 41065c177..f4f9cddfc 100644 --- a/openfe/tests/protocols/test_openmm_equil_rfe_protocols.py +++ b/openfe/tests/protocols/test_openmm_equil_rfe_protocols.py @@ -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 ( diff --git a/openfe/tests/protocols/test_openmm_plain_md_protocols.py b/openfe/tests/protocols/test_openmm_plain_md_protocols.py index 566cd9829..43dd2fac7 100644 --- a/openfe/tests/protocols/test_openmm_plain_md_protocols.py +++ b/openfe/tests/protocols/test_openmm_plain_md_protocols.py @@ -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 (