From 326aa0c3567835bf746533b9ed7c73bf82e35597 Mon Sep 17 00:00:00 2001
From: Charlles Abreu <charlles@redesignscience.com>
Date: Wed, 31 Jan 2024 15:32:39 -0500
Subject: [PATCH] Fix GH actions workflows (#58)

* GH actions installs openmm-cpp-forces if openmm>=8.1

* Fixed docs test

* Fixed string comparison
---
 .github/workflows/Docs.yaml  | 6 ++++--
 .github/workflows/Linux.yaml | 3 +++
 .github/workflows/MacOS.yaml | 1 +
 3 files changed, 8 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/Docs.yaml b/.github/workflows/Docs.yaml
index 5ae76175..58352cf9 100644
--- 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=(${{ github.ref_name }} latest)
           else
             subdirs=(development)
           fi
diff --git a/.github/workflows/Linux.yaml b/.github/workflows/Linux.yaml
index f90f9472..be323c4d 100644
--- a/.github/workflows/Linux.yaml
+++ b/.github/workflows/Linux.yaml
@@ -56,6 +56,9 @@ jobs:
         # conda setup requires this special shell
         shell: bash -l {0}
         run: |
+          if ! [[ "${{ 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
index aec72e78..1327babe 100644
--- 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