add build and pipeline

.codespell-whitelist.txt

@@ -0,0 +1 @@
+datas

.github/merge_rules.yaml

@@ -0,0 +1,7 @@
+- name: merge
+  patterns:
+    - chanfig/**
+  approved_by:
+    - ZhiyuanChen
+  mandatory_checks_name:
+    - push

.github/workflows/push.yaml

@@ -0,0 +1,137 @@
+name: push
+on: [push, pull_request]
+jobs:
+  lint:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+        with:
+          python-version: 3.x
+          cache: "pip"
+      - uses: pre-commit/[email protected]
+  test:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.7", "3.8", "3.9", "3.10", "3.11", "3.12"]
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+          cache: "pip"
+      - name: Install dependencies
+        run: pip install -r requirements.txt && pip install -e .
+      - name: Install dependencies for testing
+        run: pip install pytest pytest-cov torch
+      - name: pytest
+        run: pytest --cov=materialx --cov-report=xml --cov-report=html .
+      - name: Upload coverage report for documentation
+        uses: actions/upload-artifact@v3
+        with:
+          name: coverage
+          path: htmlcov
+          retention-days: 5
+      - name: Upload coverage reports to Codecov
+        uses: codecov/codecov-action@v3
+        with:
+          token: ${{ secrets.CODECOV_TOKEN }}
+      - name: Upload coverage reports to Codacy
+        uses: codacy/codacy-coverage-reporter-action@v1
+        with:
+          project-token: ${{ secrets.CODACY_PROJECT_TOKEN }}
+          coverage-reports: coverage.xml
+  pages:
+    if: startsWith(github.event.ref, 'refs/tags/v') || contains(fromJson('["refs/heads/master", "refs/heads/main"]'), github.ref)
+    needs: [test]
+    environment: github-pages
+    runs-on: ubuntu-latest
+    permissions:
+      contents: write
+    concurrency:
+      group: ${{ github.workflow }}-${{ github.ref }}
+    steps:
+      - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+      - uses: actions/setup-python@v4
+        with:
+          python-version: 3.x
+      - name: Get pip cache dir
+        id: pip-cache
+        run: echo "::set-output name=dir::$(pip cache dir)"
+      - uses: actions/cache@v3
+        with:
+          key: ${{ github.ref }}
+          path: .cache
+      - run: pip install -r docs/requirements.txt
+      - name: Download coverage report
+        uses: actions/download-artifact@v3
+        with:
+          name: coverage
+          path: htmlcov
+      - run: mkdocs build -v -f docs/mkdocs.yml
+      - name: Deploy
+        uses: peaceiris/actions-gh-pages@v3
+        if: ${{ github.ref == 'refs/heads/master' }}
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_dir: ./docs/site
+  release:
+    if: startsWith(github.event.ref, 'refs/tags/v')
+    needs: [lint, test]
+    environment: pypi
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+        with:
+          python-version: 3.x
+          cache: "pip"
+      - name: Install dependencies for building
+        run: pip install wheel setuptools_scm
+      - name: build package
+        run: python setup.py sdist bdist_wheel
+      - name: create release
+        uses: "marvinpinto/action-automatic-releases@latest"
+        with:
+          repo_token: "${{ secrets.GITHUB_TOKEN }}"
+          prerelease: false
+          files: |
+            dist/*
+      - name: publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          password: ${{ secrets.PYPI_API_TOKEN }}
+  develop:
+    if: contains(fromJson('["refs/heads/master", "refs/heads/main"]'), github.ref)
+    needs: [lint, test]
+    environment: pypi
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+      - uses: actions/setup-python@v4
+        with:
+          python-version: 3.x
+          cache: "pip"
+      - name: Install dependencies for building
+        run: pip install wheel setuptools_scm
+      - name: build package
+        run: python setup.py sdist bdist_wheel
+      - name: create release
+        uses: "marvinpinto/action-automatic-releases@latest"
+        with:
+          repo_token: "${{ secrets.GITHUB_TOKEN }}"
+          automatic_release_tag: "latest"
+          prerelease: true
+          title: "Development Build"
+          files: |
+            dist/*
+      # - name: publish to Test PyPI
+      #   uses: pypa/gh-action-pypi-publish@release/v1
+      #   with:
+      #     password: ${{ secrets.TEST_PYPI_API_TOKEN }}
+      #     repository_url: https://test.pypi.org/legacy/