Update GROMACS_Installation_Main.yml

Signed-off-by: Anuththara Gamage(Anu) <[email protected]>

.github/workflows/GROMACS_Installation_Main.yml

@@ -1,79 +1,33 @@
-name: Run GROMACS Simulations
-
-on:
-  workflow_dispatch
-
+name: Cypress Tests
+on: [push]
 jobs:
-  simulate:
-    runs-on: warp-ubuntu-latest-x64-2x
-    timeout-minutes: 240  
-
-    env:
-      PATH: "/usr/local/gromacs/bin:$PATH"  # Set PATH for all steps
-
+  cypress-run:
+    runs-on: ubuntu-latest
+    # Runs tests in parallel with matrix strategy https://docs.cypress.io/guides/guides/parallelization
+    # https://docs.github.com/en/actions/using-jobs/using-a-matrix-for-your-jobs
+    # Also see warning here https://github.com/cypress-io/github-action#parallel
+    strategy:
+      fail-fast: false # https://github.com/cypress-io/github-action/issues/48
+      matrix:
+        containers: [1, 2] # Uses 2 parallel instances
     steps:
-      - name: Install tar
-        run: sudo apt-get install -y tar
-
-      - name: Checkout source
-        uses: actions/checkout@v2
-
-      - name: Setup Python
-        uses: actions/setup-python@v2
+      - name: Checkout
+        uses: actions/checkout@v4
+      - name: Cypress run
+        # Uses the official Cypress GitHub action https://github.com/cypress-io/github-action
+        uses: cypress-io/github-action@v6
         with:
-          python-version: 3.7
-
-      - name: Install GROMACS Requirements
-        run: |
-          sudo apt-get update
-          sudo apt-get install -y wget
-          wget https://ftp.gromacs.org/gromacs/gromacs-2023.3.tar.gz
-          tar xfz gromacs-2023.3.tar.gz
-          cd gromacs-2023.3
-          mkdir build
-          cd build
-          cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
-          make 
-          # Exclude the problematic test
-          ctest -j $(nproc) -E MdrunTestsTwoRanks --output-on-failure || true #workflow continues even if the test fails
-          sudo make install
-          echo 'source /usr/local/gromacs/bin/GMXRC' >> $HOME/.bashrc
-          source $HOME/.bashrc
-
-      - name: Prepare Input Files
-        run: |
-          pwd
-          ls
-          cp Demo_Run/simulation/input_files/NVT.mdp .
-          cp Demo_Run/simulation/input_files/NPT.mdp .
-          cp Demo_Run/simulation/input_files/MD.mdp .
-          cp Demo_Run/simulation/input_files/EM.gro .
-          cp Demo_Run/simulation/input_files/topol.top .
-          cp Demo_Run/simulation/input_files/index.ndx .
-
-      - name: Run NVT Simulation
-        run: |
-          pwd
-          ls
-          gmx grompp -f NVT.mdp -c EM.gro -r EM.gro -p topol.top -n index.ndx -maxwarn 2 -o NVT.tpr
-          gmx mdrun -deffnm NVT
-
-      - name: Run NPT Simulation
-        run: |
-          pwd
-          ls
-          gmx grompp -f NPT.mdp -c NVT.gro -r NVT.gro -p topol.top -n index.ndx -maxwarn 2 -o NPT.tpr
-          gmx mdrun -deffnm NPT
-
-      - name: Run MD Simulation
-        run: |
-          pwd
-          ls
-          gmx grompp -f MD.mdp -c NPT.gro -t NPT.cpt -p topol.top -n index.ndx -maxwarn 2 -o MD.tpr
-          gmx mdrun -deffnm MD
-
-      - name: Archive Simulation Output
-        uses: actions/upload-artifact@v2
-        with:
-          name: simulation-results
-          path: ./*.{edr,log,trr,tpr,xtc,xvg}
+          # Starts web server for E2E tests - replace with your own server invocation
+          # https://docs.cypress.io/guides/continuous-integration/introduction#Boot-your-server
+          start: npm start
+          wait-on: 'http://localhost:3000' # Waits for above
+          # Records to Cypress Cloud 
+          # https://docs.cypress.io/guides/cloud/projects#Set-up-a-project-to-record
+          record: true
+          parallel: true # Runs test in parallel using settings above
+        env:
+          # For recording and parallelization to work you must set your CYPRESS_RECORD_KEY
+          # in GitHub repo → Settings → Secrets → Actions
+          CYPRESS_RECORD_KEY: ${{ secrets.CYPRESS_RECORD_KEY }}
+          # Creating a token https://docs.github.com/en/authentication/keeping-your-account-and-data-secure/creating-a-personal-access-token
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}