build: modernize build system, dependencies and CI

.github/workflows/ci.yml

@@ -1,56 +1,43 @@
 name: CI
 
-on: [push]
+on:
+  push:
+    branches: [master]
+  pull_request:
 
 jobs:
-  build:
+  test:
+    name: test (${{ matrix.os }}, ${{ matrix.python-version }})
     runs-on: ${{ matrix.os }}
 
     strategy:
-      max-parallel: 4
+      fail-fast: false
       matrix:
-        os: [ubuntu-latest, windows-latest, macOS-latest]
-        python-version: [3.7, 3.8, 3.9]
+        os: [ubuntu-latest, windows-latest, macos-latest]
+        python-version: ['3.12', '3.13', '3.14']
 
     steps:
-    - uses: actions/checkout@v2
-
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v2
-      with:
-        python-version: ${{ matrix.python-version }}
-
-    - name: Install libomp
-      run: |
-        brew install libomp
-      if: matrix.os == 'macos-latest'
-
-    - name: Get pip cache dir
-      id: pip-cache
-      run: |
-        echo "::set-output name=dir::$(pip cache dir)"
-
-    - name: pip cache
-      uses: actions/cache@v2
-      with:
-        path: ${{ steps.pip-cache.outputs.dir }}
-        key: ${{ runner.os }}-pip-${{ hashFiles('**/requirements.txt') }}
-        restore-keys: |
-          ${{ runner.os }}-pip-
-
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install -r requirements.txt
-        pip install hyperjet
-
-    - name: Install package
-      run: |
-        pip install .
-        python -c "import eqlib; print('eqlib._USE_MKL', eqlib._USE_MKL)"
-      shell: pwsh
-
-    - name: Test with pytest
-      run: |
-        pip install pytest
-        pytest
+      - uses: actions/checkout@v7
+        with:
+          fetch-depth: 0 # setuptools-scm needs the tag history
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v7
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install package
+        run: |
+          pip install .
+          python -c "import eqlib; print('eqlib', eqlib.__version__, '_USE_MKL', eqlib._USE_MKL)"
+
+      - name: Install test dependencies
+        run: pip install pytest
+
+      # hyperjet is optional for the tests (they are skipped if it is missing)
+      - name: Install hyperjet
+        run: pip install "hyperjet @ git+https://github.com/oberbichler/HyperJet"
+        continue-on-error: true
+
+      - name: Run tests
+        run: pytest

.github/workflows/publish.yml

@@ -2,105 +2,65 @@ name: Publish
 
 on:
   release:
-    types: [created]
+    types: [published]
+  workflow_dispatch:
 
 jobs:
-  win_mac:
-    name: publish (${{ matrix.os }}, ${{ matrix.python-version }})
-
+  build_wheels:
+    name: wheels (${{ matrix.os }})
     runs-on: ${{ matrix.os }}
 
     strategy:
-      max-parallel: 4
+      fail-fast: false
       matrix:
-        os: [windows-latest, macOS-latest]
-        python-version: [3.7, 3.8, 3.9]
+        os: [ubuntu-latest, ubuntu-24.04-arm, windows-latest, macos-13, macos-latest]
 
     steps:
-    - uses: actions/checkout@v1
-
-    - name: Install libomp
-      run: |
-        brew install libomp
-      if: matrix.os == 'macos-latest'
-
-    - name: Set up Python
-      uses: actions/setup-python@v1
-      with:
-        python-version: ${{ matrix.python-version }}
+      - uses: actions/checkout@v7
+        with:
+          fetch-depth: 0 # setuptools-scm needs the tag history
 
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install setuptools wheel twine
-        pip install -r requirements.txt
+      - name: Build wheels
+        uses: pypa/cibuildwheel@v4.1.1
 
-    - name: Build and publish
-      env:
-        TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
-        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
-      run: |
-        pumpit --tag "${{ github.ref }}" --file setup.py --replace "EQLIB_VERSION = 'dev'" "EQLIB_VERSION = '%VERSION%'"
-        python setup.py bdist_wheel
-        twine upload dist/*.whl
-
-  linux:
-    name: publish (ubuntu-latest, ${{ matrix.python-version }})
+      - uses: actions/upload-artifact@v7
+        with:
+          name: wheels-${{ matrix.os }}
+          path: wheelhouse/*.whl
 
+  build_sdist:
+    name: sdist
     runs-on: ubuntu-latest
 
-    container:
-      image: oberbichler/manylinux2010_x86_64
-      env:
-        PLAT: manylinux2010_x86_64
+    steps:
+      - uses: actions/checkout@v7
+        with:
+          fetch-depth: 0
 
-    strategy:
-      max-parallel: 4
-      matrix:
-        python-version: [3.7, 3.8, 3.9]
+      - name: Build sdist
+        run: pipx run build --sdist
 
-    steps:
-    - uses: actions/checkout@v1
-    - name: Build and publish
-      env:
-        TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
-        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
-        PYTHON_VERSION: ${{ matrix.python-version }}
-      run: |
-        if [ "${PYTHON_VERSION}" == "3.7" ]; then PYBIN=/opt/python/cp37-cp37m/bin; fi
-        if [ "${PYTHON_VERSION}" == "3.8" ]; then PYBIN=/opt/python/cp38-cp38/bin; fi
-        if [ "${PYTHON_VERSION}" == "3.9" ]; then PYBIN=/opt/python/cp39-cp39/bin; fi
-        PATH=${PYBIN}:$PATH
-        pip install --upgrade pip
-        pip install -r requirements.txt
-        pumpit --tag "${{ github.ref }}" --file setup.py --replace "EQLIB_VERSION = 'dev'" "EQLIB_VERSION = '%VERSION%'"
-        pip wheel . -w wheelhouse/
-        for whl in wheelhouse/eqlib-*.whl; do
-          auditwheel repair "$whl" --plat $PLAT -w wheelhouse/
-        done
-        for whl in wheelhouse/eqlib-*-${PLAT}.whl; do
-          twine upload "$whl"
-        done
-
-  source:
-    name: publish (source)
+      - uses: actions/upload-artifact@v7
+        with:
+          name: sdist
+          path: dist/*.tar.gz
+
+  publish:
+    name: publish to PyPI
+    needs: [build_wheels, build_sdist]
     runs-on: ubuntu-latest
+
+    environment:
+      name: pypi
+      url: https://pypi.org/p/eqlib
+
+    permissions:
+      id-token: write # PyPI trusted publishing
+
     steps:
-    - uses: actions/checkout@v1
-    - name: Set up Python
-      uses: actions/setup-python@v1
-      with:
-        python-version: '3.x'
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install setuptools wheel twine
-        pip install -r requirements.txt
-    - name: Build and publish
-      env:
-        TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
-        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
-      run: |
-        pumpit --tag "${{ github.ref }}" --file setup.py --replace "EQLIB_VERSION = 'dev'" "EQLIB_VERSION = '%VERSION%'"
-        python setup.py sdist
-        twine upload dist/*
+      - uses: actions/download-artifact@v8
+        with:
+          path: dist
+          merge-multiple: true
+
+      - uses: pypa/gh-action-pypi-publish@release/v1