Modernize building and CI and fix bugs due to SymPy upgrades

.github/workflows/ci.yml

@@ -0,0 +1,47 @@
+name: CI
+
+on: [push]
+
+jobs:
+  ci:
+    name: ${{ matrix.plat.name }} Build + Test
+    runs-on: ${{ matrix.plat.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        plat:
+          - { os: ubuntu-latest, name: Ubuntu }
+          - { os: macos-latest,  name: macOS }
+
+    steps:
+      - uses: actions/checkout@v5
+
+      - name: Download submodules
+        shell: bash
+        run: git submodule update --init --recursive
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version-file: pyproject.toml
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v6
+
+      - name: Build Drudge
+        run: uv sync --locked --extra dev
+
+      - name: Install coverage tools
+        run: uv pip install coverage coveralls
+
+      - name: Run tests with coverage
+        env:
+          DUMMY_SPARK: 1
+        run: uv run coverage run --source=drudge -m pytest tests
+
+      - name: Upload coverage to Coveralls (Ubuntu only)
+        if: ${{ always() && matrix.plat.os == 'ubuntu-latest' }}
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+        run: uv run coveralls --service=github
+

.github/workflows/copilot-setup-steps.yml

@@ -0,0 +1,37 @@
+name: Copilot Setup Steps
+
+on:
+  workflow_dispatch:
+  push:
+    paths: [".github/workflows/copilot-setup-steps.yml"]
+  pull_request:
+    paths: [".github/workflows/copilot-setup-steps.yml"]
+
+jobs:
+  copilot-setup-steps:
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v5
+
+      - name: Download submodules
+        shell: bash
+        run: |
+          git submodule update --init --recursive
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version-file: "pyproject.toml"
+
+      - name: Setup uv
+        uses: astral-sh/setup-uv@v6
+
+      - name: Install the project
+        run: |
+          uv sync --locked --extra dev
+          uv build
+

.github/workflows/windows.yml

@@ -0,0 +1,38 @@
+name: CI
+
+on: [push]
+
+jobs:
+  windows:
+    name: Windows Build + Test
+    runs-on: windows-latest
+
+    steps:
+      - uses: actions/checkout@v5
+
+      - name: Download submodules
+        shell: bash
+        run: git submodule update --init --recursive
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version-file: pyproject.toml
+
+      - name: Setup MSVC
+        uses: ilammy/msvc-dev-cmd@v1
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v6
+
+      - name: Build Drudge
+        run: uv sync --locked --extra dev
+
+      - name: Install coverage tools
+        run: uv pip install coverage
+
+      - name: Run tests with coverage
+        env:
+          DUMMY_SPARK: 1
+        run: uv run coverage run --source=drudge -m pytest tests
+

.gitignore

@@ -79,6 +79,7 @@ celerybeat-schedule
 .env
 
 # virtualenv
+.venv/
 venv/
 ENV/
 
@@ -102,3 +103,10 @@ ENV/
 
 # For usage in dockerignore.
 .git
+
+# Editors
+.idea/
+.ycm_extra_conf.py
+
+# macOS cruft
+.DS_Store

CITATION.cff

@@ -0,0 +1,38 @@
+cff-version: 1.2.0
+message: "If you use Drudge, please cite the following works."
+authors:
+  - family-names: Zhao
+    given-names: Jinmo
+  - family-names: Chen
+    given-names: Guo P.
+  - family-names: Harsha
+    given-names: Gaurav
+  - family-names: Wholey
+    given-names: Matthew
+  - family-names: Henderson
+    given-names: Thomas M.
+  - family-names: Scuseria
+    given-names: Gustavo E.
+title: "Drudge: A symbolic algebra system for tensorial and noncommutative algebras"
+type: software
+repository-code: "https://github.com/DrudgeCAS/drudge"
+abstract: "Drudge is a symbolic algebra system built on top of SymPy, focusing primarily on tensorial and noncommutative algebras. It is motivated by tedious symbolic derivations in quantum chemistry and many-body theory but is also useful for any symbolic manipulation and simplification involving indexed quantities, symbolic summations, and noncommutative algebras."
+keywords:
+  - symbolic algebra
+  - tensor algebra
+  - quantum chemistry
+  - many-body theory
+license: MIT
+version: 0.11.0
+date-released: 2025-09-15
+
+references:
+  - type: thesis
+    authors:
+      - family-names: Zhao
+        given-names: Jinmo
+    title: "Symbolic Solution for Computational Quantum Many-Body Theory Development"
+    year: 2018
+    publisher: Rice University
+    url: "https://www.proquest.com/openview/61a9a86c07dbb6e5270bdeb1c84384db/1?pq-origsite=gscholar&cbl=18750&diss=y"
+

MANIFEST.in

@@ -0,0 +1,6 @@
+recursive-include drudge *.h
+
+recursive-include deps/libcanon/include *.h
+
+recursive-include drudge/templates *
+