From 3a8fe162c0f9fda55c2de442f622ab32d0ce5a56 Mon Sep 17 00:00:00 2001
From: liwt31 <liwt31@163.com>
Date: Mon, 15 Jan 2024 16:08:28 +0800
Subject: [PATCH] add pypi ci

---
 .github/workflows/ci.yml           |  3 +++
 .github/workflows/publish_pypi.yml | 23 +++++++++++++++++++++++
 2 files changed, 26 insertions(+)
 create mode 100644 .github/workflows/publish_pypi.yml

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index e090797..43c69db 100644
--- a/.github/workflows/ci.yml
+++ b/.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"
diff --git a/.github/workflows/publish_pypi.yml b/.github/workflows/publish_pypi.yml
new file mode 100644
index 0000000..3bcd36e
--- /dev/null
+++ b/.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