Fix GH actions workflows (#58)

* GH actions installs openmm-cpp-forces if openmm>=8.1 * Fixed docs test * Fixed string comparison
RedesignScience · Jan 31, 2024 · 326aa0c · 326aa0c
1 parent 304386b
commit 326aa0c
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Showing 3 changed files with 8 additions and 2 deletions.
diff --git a/.github/workflows/Docs.yaml b/.github/workflows/Docs.yaml
@@ -32,11 +32,13 @@ jobs:
           environment-file: devtools/conda-envs/docs_env.yaml
           environment-name: docs
           create-args: >-
-            python=3.9
+            python=3.11
+            openmm>=8.1
 
       - name: Install package
         shell: bash -l {0}
         run: |
+          micromamba install -y -c mdtools openmm-cpp-forces
           python -m pip install . --no-deps
           micromamba list
 
@@ -84,7 +86,7 @@ jobs:
             echo "Deployment is deactivated on pull requests"
             exit 0
           elif [ "$GITHUB_REF_TYPE" == "tag" ]; then
-            subdirs=($CVPACK_VERSION latest)
+            subdirs=(${{ github.ref_name }} latest)
           else
             subdirs=(development)
           fi

diff --git a/.github/workflows/Linux.yaml b/.github/workflows/Linux.yaml
@@ -56,6 +56,9 @@ jobs:
         # conda setup requires this special shell
         shell: bash -l {0}
         run: |
+          if ! [[ "${{ matrix.openmm-version }}" < "8.1" ]]; then
+            micromamba install -y -c mdtools openmm-cpp-forces
+          fi
           python -m pip install . --no-deps
           micromamba list
 

diff --git a/.github/workflows/MacOS.yaml b/.github/workflows/MacOS.yaml
@@ -48,6 +48,7 @@ jobs:
         # conda setup requires this special shell
         shell: bash -l {0}
         run: |
+          micromamba install -y -c mdtools openmm-cpp-forces
           python -m pip install . --no-deps
           micromamba list