Modified CI.yaml and docs/requirements.yaml

wehs7661 · Sep 6, 2022 · 69de773 · 69de773
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diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
@@ -74,7 +74,7 @@ jobs:
         python -m ensurepip --default-pip
         pip install --upgrade pip setuptools wheel
         pip install --upgrade cmake pybind11
-        python -m pip install --upgrade pipsetuptools
+        python -m pip install --upgrade pip setuptools
         pip install --upgrade mpi4py
         cd ../python_packaging/gmxapi
         pip install .

diff --git a/docs/requirements.yaml b/docs/requirements.yaml
@@ -19,3 +19,4 @@ dependencies:
     - alchemlyb
     - seaborn
     - matplotlib
+    - mpi4py
-Original file line number
+Diff line change
@@ Expand Up / @@ -19,3 +19,4 @@ dependencies: @@
         - alchemlyb
         - seaborn
         - matplotlib
+        - mpi4py