diff --git a/devtools/conda-envs/beta_env.yaml b/devtools/conda-envs/beta_env.yaml index f6c95234..a8d8a2bb 100644 --- a/devtools/conda-envs/beta_env.yaml +++ b/devtools/conda-envs/beta_env.yaml @@ -8,7 +8,7 @@ dependencies: - python - numpy >=1.21 - pydantic >=1.10.17,<3 - - openmm >=7.6 + - openmm # OpenFF stack - openff-toolkit ~=0.16.4 - openff-nagl ~=0.3.7 diff --git a/devtools/conda-envs/dev_env.yaml b/devtools/conda-envs/dev_env.yaml index a0be5ce0..24cb5a17 100644 --- a/devtools/conda-envs/dev_env.yaml +++ b/devtools/conda-envs/dev_env.yaml @@ -15,7 +15,7 @@ dependencies: - openff-units - ambertools =23 # Optional features - - openmm + - openmm =8.1.2 # smirnoff-plugins =2024 # de-forcefields # add back after smirnoff-plugins update - openff-nagl diff --git a/devtools/conda-envs/docs_env.yaml b/devtools/conda-envs/docs_env.yaml index a7f6e7c4..6164397a 100644 --- a/devtools/conda-envs/docs_env.yaml +++ b/devtools/conda-envs/docs_env.yaml @@ -9,7 +9,7 @@ dependencies: - numpy =1 - pydantic =2 - openff-toolkit-base ~=0.16.4 - - openmm =8 + - openmm =8.1.2 - mbuild - foyer =1 - nglview diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index a62789c9..b62685ee 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -14,7 +14,7 @@ dependencies: # Needs to be explicitly listed to not be dropped when AmberTools is removed - rdkit # Optional features - - openmm + - openmm =8.1.2 # smirnoff-plugins =2024 # de-forcefields # add back after smirnoff-plugins update - openff-nagl