From 2a1db349dcf28e0d5f8d5e2bb14d9d91fb9dbdd0 Mon Sep 17 00:00:00 2001
From: Alexander Hampel <ahampel@flatironinstitute.org>
Date: Fri, 31 May 2024 14:40:10 -0400
Subject: [PATCH] [build] finalize pypi publishing workflow

---
 .github/workflows/publish-to-pypi.yml | 31 ++++++++++-------------
 packaging/CMakeLists.txt              |  2 ++
 packaging/pypi/MANIFEST.in            | 13 ++++++++++
 packaging/pypi/pyproject.toml.in      | 36 +++++++++++++++++++++++++++
 4 files changed, 64 insertions(+), 18 deletions(-)
 create mode 100644 packaging/pypi/MANIFEST.in
 create mode 100644 packaging/pypi/pyproject.toml.in

diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml
index 23acc36..9426859 100644
--- a/.github/workflows/publish-to-pypi.yml
+++ b/.github/workflows/publish-to-pypi.yml
@@ -1,4 +1,4 @@
-name: Publish to PyPI
+name: PyPI
 
 on:
   push:
@@ -11,31 +11,26 @@ jobs:
     name: Build distribution 📦
     runs-on: ubuntu-latest
     container:   # we have to provide a working triqs installation to make the cmake step work
-      image: flatironinstitute/triqs:${{github.ref_name}}
+      # image: flatironinstitute/triqs:${{github.ref_name}}
+      image: flatironinstitute/triqs:latest
+      options: --user root
 
     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
+      run: |
+        pip3 install --user build toml --break-system-packages
     - name: prepare python distribution
       run: |
-        mkdir build && cd build 
-        cmake ../
-        cp packaging/pypi/* ../
-        mv python/triqs_maxent/version.py ../python/triqs_maxent/version.py
-        rm ../python/triqs_maxent/version.py.in
+        git config --global --add safe.directory ${GITHUB_WORKSPACE}
+        cmake -S . -B build/
+        cp build/packaging/pypi/* ./
+        mv build/python/triqs_maxent/version.py ./python/triqs_maxent/version.py
+        rm ./python/triqs_maxent/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
+      uses: actions/upload-artifact@v4
       with:
         name: python-package-distributions
         path: dist/
@@ -53,7 +48,7 @@ jobs:
 
     steps:
     - name: Download all the dists
-      uses: actions/download-artifact@v3
+      uses: actions/download-artifact@v4
       with:
         name: python-package-distributions
         path: dist/
diff --git a/packaging/CMakeLists.txt b/packaging/CMakeLists.txt
index 70981c2..a1fbb10 100644
--- a/packaging/CMakeLists.txt
+++ b/packaging/CMakeLists.txt
@@ -2,6 +2,8 @@
 configure_file(conda/meta.yaml.in conda/meta.yaml)
 configure_file(conda/build.sh conda/build.sh COPYONLY)
 configure_file(conda/conda_build_config.yaml conda/conda_build_config.yaml COPYONLY)
+configure_file(pypi/MANIFEST.in pypi/MANIFEST.in COPYONLY)
+configure_file(pypi/pyproject.toml.in pypi/pyproject.toml)
 configure_file(TRIQS-triqs_maxent-foss-2021b.eb.in TRIQS-triqs_maxent-foss-2021b.eb)
 
 
diff --git a/packaging/pypi/MANIFEST.in b/packaging/pypi/MANIFEST.in
new file mode 100644
index 0000000..2cad09e
--- /dev/null
+++ b/packaging/pypi/MANIFEST.in
@@ -0,0 +1,13 @@
+prune test
+prune .git
+prune .github
+prune doc
+prune share
+prune Docker
+prune deps
+prune packaging
+prune paper
+prune bin
+prune build
+
+global-exclude .clang-format .clang-tidy .dockerignore .gitignore CMakeLists.txt Jenkinsfile 
diff --git a/packaging/pypi/pyproject.toml.in b/packaging/pypi/pyproject.toml.in
new file mode 100644
index 0000000..879939f
--- /dev/null
+++ b/packaging/pypi/pyproject.toml.in
@@ -0,0 +1,36 @@
+[build-system]
+requires = ["setuptools"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools.packages.find]
+where = ["python"]
+
+[project]
+name = "triqs_maxent"
+version = "@PROJECT_VERSION@"
+authors = [
+  { name="TRIQS", email="triqs@flatironinstitute.org" }
+]
+description = "TRIQS application providing a modular Maximum Entropy progra to perform analytic continuation based on the TRIQS library (triqs.github.io)"
+readme = "README.md"
+keywords = ["triqs", "analytic-continuation", "maximum-entropy"]
+requires-python = ">=3.7"
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
+    "Operating System :: OS Independent",
+]
+dependencies = [
+    "numpy",
+    "scipy",
+    "matplotlib"
+]
+
+[project.urls]
+"Homepage" = "https://triqs.github.io/maxent"
+"Bug Tracker" = "https://github.com/triqs/maxent/issues"
+
+# in case you want an executable hook of your app
+# [project.scripts]
+# solid_dmft = "solid_dmft.main:main"
+