Update publishing for poetry

.github/workflows/publish-on-pypi.yml

@@ -9,25 +9,37 @@ on:
 jobs:
   publish:
     runs-on: ubuntu-latest
-    if: github.repository == 'aiidateam/aiida-mlip' && startsWith(github.ref, 'refs/tags/v')
+    if: github.repository == 'stfc/aiida-mlip' && startsWith(github.ref, 'refs/tags/v')
 
     steps:
     - name: Checkout repository
-      uses: actions/checkout@v2
+      uses: actions/checkout@v4
 
-    - name: Set up Python 3.10
-      uses: actions/setup-python@v1
+    - name: Install poetry
+      run: pipx install poetry
+
+    - name: Set up Python 3.11
+      uses: actions/setup-python@v5
       with:
-        python-version: '3.10'
-
-    - name: Install flit
-      run: |
-        python -m pip install --upgrade pip
-        python -m pip install flit~=3.4
-
-    - name: Build and publish
-      run: |
-        flit publish
-      env:
-        FLIT_USERNAME: __token__
-        FLIT_PASSWORD:  ${{ secrets.pypi_token }}
+        python-version: 3.11
+
+    - name: Build project for distribution
+        run: poetry build
+
+    - name: Check Version
+        id: check-version
+        run: |
+          [[ "$(poetry version --short)" =~ ^[0-9]+\.[0-9]+\.[0-9]+$ ]] || echo prerelease=true >> $GITHUB_OUTPUT
+
+      - name: Create Release
+        uses: ncipollo/release-action@v1
+        with:
+          artifacts: "dist/*"
+          token: ${{ secrets.GITHUB_TOKEN }}
+          draft: false
+          prerelease: steps.check-version.outputs.prerelease == 'true'
+
+      - name: Publish to PyPI
+        env:
+          POETRY_PYPI_TOKEN_PYPI: ${{ secrets.PYPI_TOKEN }}
+        run: poetry publish