add github action to test build and upload to pypi if tagged

Author: DonaldChung-HK

.github/workflows/CI.yaml

@@ -80,3 +80,16 @@ jobs:
       if: runner.os == 'Linux'
       run: |
         CodeEntropyPoseidon -f "CodeEntropy/tests/data/1AKI_prod_60.tpr" "CodeEntropy/tests/data/1AKI_prod_60.trr" -l "protein" -b 2 -e 12 -d 2 -t 2 --wm --res --uatom --topog 5 --solwm --solres --soluatom --solContact
+  
+  publish:
+    name: Publish to pypi if tagged
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+      - uses: actions/setup-python@v2
+      - uses: casperdcl/deploy-pypi@v2
+        with:
+          password: ${{ secrets.PYPI_API_TOKEN }}
+          pip: wheel -w dist/ --no-deps .
+          # only upload if a tag is pushed (otherwise just build & check)
+          upload: ${{ github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags') }}