Added python action for publishing in pypi on release

.github/workflows/publish.yml

@@ -1,84 +1,43 @@
-# Upload python package to pypi server and github release.
-# Reference: https://packaging.python.org/en/latest/guides/publishing-package-distribution-releases-using-github-actions-ci-cd-workflows/
+# This workflow will upload a Python Package using Twine when a release is created
+# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python#publishing-to-package-registries
 
-name: Upload Python Package
+# This workflow uses actions that are not certified by GitHub.
+# They are provided by a third-party and are governed by
+# separate terms of service, privacy policy, and support
+# documentation.
+
+name: Build and Publish Python Package
 
 on:
   release:
     types: [published]
 
+permissions:
+  contents: read
+
 jobs:
-  # publish-to-pypi:
-  #   name: >-
-  #     Publish distribution to PyPI
-  #   runs-on: ubuntu-latest
-  #   environment:
-  #     name: pypi
-  #     url: https://pypi.org/p/nomad-simulations
-  #   permissions:
-  #     id-token: write # IMPORTANT: mandatory for trusted publishing
-  #
-  #   steps:
-  #     - uses: actions/checkout@v4
-  #     - name: Set up Python
-  #       uses: actions/setup-python@v4
-  #       with:
-  #         python-version: "3.9"
-  #     - name: Install pypa/build
-  #       run: >-
-  #         python3 -m
-  #         pip install
-  #         build
-  #         --user
-  #     - name: Build a binary wheel and a source tarball
-  #       run: python3 -m build
-  #     - name: Publish distribution  to PyPI
-  #       uses: pypa/gh-action-pypi-publish@release/v1
+  deploy:
 
-  github-release:
-    name: >-
-      Sign the Python distribution with Sigstore
-      and upload them to GitHub Release
     runs-on: ubuntu-latest
-    permissions:
-      contents: write # IMPORTANT: mandatory for making GitHub Releases
-      id-token: write # IMPORTANT: mandatory for sigstore
 
     steps:
-      - uses: actions/checkout@v4
-      - name: Set up Python
-        uses: actions/setup-python@v4
-        with:
-          python-version: "3.9"
-      - name: Install pypa/build
-        run: >-
-          python3 -m
-          pip install
-          build
-          --user
-      - name: Build a binary wheel and a source tarball
-        run: python3 -m build
-      - name: Sign the dists with Sigstore
-        uses: sigstore/[email protected]
-        with:
-          inputs: >-
-            ./dist/*.tar.gz
-            ./dist/*.whl
-      - name: Create GitHub Release
-        env:
-          GITHUB_TOKEN: ${{ github.token }}
-        run: >-
-          gh release create
-          '${{ github.ref_name }}'
-          --repo '${{ github.repository }}'
-          --notes ""
-      - name: Upload artifact signatures to GitHub Release
-        env:
-          GITHUB_TOKEN: ${{ github.token }}
-        # Upload to GitHub Release using the `gh` CLI.
-        # `dist/` contains the built packages, and the
-        # sigstore-produced signatures and certificates.
-        run: >-
-          gh release upload
-          '${{ github.ref_name }}' dist/**
-          --repo '${{ github.repository }}'
+    - uses: actions/checkout@v3
+
+    - name: Set up Python 3.9
+      uses: actions/setup-python@v3
+      with:
+        python-version: '3.9'
+
+    - name: Install dependencies
+      run: |
+        pip install --upgrade pip
+        pip install build
+
+    - name: Build package
+      run: python -m build
+
+    - name: Publish package to PyPI
+      uses: pypa/gh-action-pypi-publish@release/v1
+      with:
+        user: __token__
+        password: ${{ secrets.PYPI_API_TOKEN }}