add caching (#1178)

* add caching * cache downloads as well * need to pull in latest openmmtools
choderalab · Apr 7, 2023 · 4b3facc · 4b3facc
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commit 4b3facc
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diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
@@ -51,6 +51,8 @@ jobs:
           environment-name: test
           channels: jaimergp/label/unsupported-cudatoolkit-shim,conda-forge/label/openmm_dev/linux-64,conda-forge,openeye
           channel-priority: flexible
+          cache-env: true
+          cache-downloads: true
           extra-specs: |
             python==${{ matrix.python-version }}
             openmm==8.0.0dev3
@@ -61,6 +63,8 @@ jobs:
         with:
           environment-file: devtools/conda-envs/test_env.yaml
           environment-name: test
+          cache-env: true
+          cache-downloads: true
           extra-specs: |
             python==${{ matrix.python-version }}
             openmm==${{ matrix.openmm }}

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -28,7 +28,7 @@ dependencies:
   - openff-units >=0.1.8
   - openmm >=7.7
   - openmmforcefields >=0.9.0
-  - openmmtools >=0.21.2 # may need to sort out ambermini/ambertools/parmed dependencies
+  - openmmtools >=0.21.5 # may need to sort out ambermini/ambertools/parmed dependencies
   - openmoltools # may need to sort out ambermini/ambertools/parmed dependencies (we don't want ambertools)
   - parmed # may need to sort out ambermini/ambertools/parmed dependencies
   - pdbfixer