From b890bee6c2d212e534d2647906db3b02e383ae60 Mon Sep 17 00:00:00 2001
From: Alexander Hampel <ahampel@flatironinstitute.org>
Date: Mon, 25 Sep 2023 13:01:08 -0400
Subject: [PATCH] [build] add pypi workflow

---
 .github/workflows/publish-to-pypi.yml | 82 +++++++++++++++++++++++++++
 pyproject.toml                        |  3 +-
 2 files changed, 84 insertions(+), 1 deletion(-)
 create mode 100644 .github/workflows/publish-to-pypi.yml

diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml
new file mode 100644
index 00000000..e11ee400
--- /dev/null
+++ b/.github/workflows/publish-to-pypi.yml
@@ -0,0 +1,82 @@
+name: Publish to PyPI and TestPyPI
+
+on: push
+
+jobs:
+  build:
+    name: Build distribution 📦
+    runs-on: ubuntu-latest
+    container: 
+      image: materialstheory/solid_dmft_ci
+
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python
+      uses: actions/setup-python@v4
+      with:
+        python-version: "3.x"
+    - name: Install pypa/build
+      run: >-
+        python3 -m
+        pip install
+        build toml
+        --user
+    - name: copy version.in
+      run: |
+        mkdir build && cd build 
+        cmake ../
+        mv python/solid_dmft/version.py ../python/solid_dmft/version.py
+        rm ../python/solid_dmft/version.py.in
+    - name: Build a binary wheel and a source tarball
+      run: python3 -m build
+    - name: Store the distribution packages
+      uses: actions/upload-artifact@v3
+      with:
+        name: python-package-distributions
+        path: dist/
+
+  publish-to-pypi:
+    name: >-
+      Publish to PyPI
+    if: startsWith(github.ref, 'refs/tags/')  # only publish to PyPI on tag pushes
+    needs:
+    - build
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/solid_dmft
+    permissions:
+      id-token: write  # IMPORTANT: mandatory for trusted publishing
+
+    steps:
+    - name: Download all the dists
+      uses: actions/download-artifact@v3
+      with:
+        name: python-package-distributions
+        path: dist/
+    - name: Publish distribution 📦 to PyPI
+      uses: pypa/gh-action-pypi-publish@release/v1
+
+  publish-to-testpypi:
+    name: Publish to TestPyPI
+    needs:
+    - build
+    runs-on: ubuntu-latest
+
+    environment:
+      name: pypi
+      url: https://test.pypi.org/p/solid_dmft
+
+    permissions:
+      id-token: write  # IMPORTANT: mandatory for trusted publishing
+
+    steps:
+    - name: Download all the dists
+      uses: actions/download-artifact@v3
+      with:
+        name: python-package-distributions
+        path: dist/
+    - name: Publish distribution 📦 to TestPyPI
+      uses: pypa/gh-action-pypi-publish@release/v1
+      with:
+        repository-url: https://test.pypi.org/legacy/
diff --git a/pyproject.toml b/pyproject.toml
index fbf14cca..9d0ec282 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -24,7 +24,8 @@ dependencies = [
     "numpy",
     "scipy",
     "pytest",
-    "scikit-image"
+    "scikit-image",
+    "argparse"
 ]
 
 [project.urls]