add pypi ci

.github/workflows/ci.yml

@@ -18,6 +18,9 @@ jobs:
           python -m pip install --upgrade pip
           pip install --no-cache-dir -r requirements.txt
           pip install --no-cache-dir -r requirements-dev.txt
+      - name: check env
+        run : |
+          pip freeze
       - name: run black
         run: |
           black . --check --verbose || echo "return 0"

.github/workflows/publish_pypi.yml

@@ -0,0 +1,23 @@
+name: publish to pypi
+on: workflow_dispatch
+jobs:
+  pypi-publish:
+    name: Upload release to PyPI
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/tencirchem
+    permissions:
+      id-token: write
+    steps:
+      - uses: actions/checkout@v2
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: 3.8
+          cache: "pip"
+      - name: Build to sdist
+        run: |
+          python setup.py sdist
+      - name: Publish package distributions to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1