Avoid pulling down old jaxlib in tests (#504)

* Avoid pulling down old jaxlib * Rework * Fixes * Avoid pymbar 3.0 * Explicitly install jax/jaxlib >=0.3
openforcefield · Mar 13, 2023 · e7f07fa · e7f07fa
1 parent 27ef2a9
commit e7f07fa
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Showing 2 changed files with 8 additions and 8 deletions.
diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml
@@ -32,7 +32,7 @@ jobs:
           - 3.8
           - 3.9
         pymbar-version:
-          - 3
+          - 3.1
           - 4
         openmm-version:
           - 7
@@ -49,13 +49,13 @@ jobs:
         uses: mamba-org/provision-with-micromamba@main
         with:
           environment-file: devtools/conda-envs/test_env.yaml
+          channel-priority: flexible
           extra-specs: |
             python=${{ matrix.python-version }}
-
-      - name: Update openmm, pymbar versions
-        shell: bash -l {0}
-        run: |
-          micromamba install "openmm =${{ matrix.openmm-version }}" "pymbar =${{ matrix.pymbar-version }}" -c conda-forge -yq
+            pymbar=${{ matrix.pymbar-version }}
+            openmm=${{ matrix.openmm-version }}
+            jax>=0.3
+            jaxlib>=0.3
 
       - name: Install OpenEye
         if: matrix.openeye

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -17,8 +17,8 @@ dependencies:
 
     # Standard dependencies
   - openff-toolkit >=0.11.0
-  - openmm =8
-  - pymbar =3|4
+  - openmm
+  - pymbar
   - dask >=2.7.0
   - distributed >=2.7.0
   - dask-jobqueue >=0.8.0