pdbrust 0.7.0

A comprehensive Rust library for parsing and analyzing Protein Data Bank (PDB) files
Documentation 
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name: Rust CI/CD

on:
  push:
    branches: [ "main" ]
  pull_request:
    branches: [ "main" ]

env:
  CARGO_TERM_COLOR: always
  RUSTFLAGS: "-D warnings"

jobs:
  test:
    name: Test
    runs-on: ${{ matrix.os }}
    strategy:
      matrix:
        os: [ubuntu-latest, windows-latest, macos-latest]
        rust: [stable, 1.85.0]  # Test on both stable and MSRV
        include:
          - os: ubuntu-latest
            rust: stable
            run-coverage: true
    steps:
      - uses: actions/checkout@v4
      
      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@master
        with:
          toolchain: ${{ matrix.rust }}
      
      - name: Cache dependencies
        uses: actions/cache@v3
        with:
          path: |
            ~/.cargo/registry
            ~/.cargo/git
            target
          key: ${{ runner.os }}-cargo-${{ matrix.rust }}-${{ hashFiles('**/Cargo.lock') }}
      
      - name: Run tests
        run: cargo test --lib --tests --verbose --package pdbrust

      - name: Run tests with all features
        run: cargo test --all-features --verbose --package pdbrust

  lint:
    name: Lint
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
      
      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@stable
        with:
          components: clippy, rustfmt
      
      - name: Cache dependencies
        uses: actions/cache@v3
        with:
          path: |
            ~/.cargo/registry
            ~/.cargo/git
            target
          key: ${{ runner.os }}-cargo-lint-${{ hashFiles('**/Cargo.lock') }}
      
      - name: Clippy check
        run: cargo clippy --all-targets --all-features --package pdbrust
      
      - name: Check formatting
        run: cargo fmt --all -- --check

  coverage:
    name: Code coverage
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
      
      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@stable
        with:
          components: llvm-tools-preview
      
      - name: Install cargo-llvm-cov
        uses: taiki-e/install-action@cargo-llvm-cov
      
      - name: Generate code coverage
        run: cargo llvm-cov --all-features --package pdbrust --lcov --output-path lcov.info
      
      - name: Upload coverage to Codecov
        uses: codecov/codecov-action@v4
        with:
          token: ${{ secrets.CODECOV_TOKEN }}
          file: lcov.info
          fail_ci_if_error: true

  doc:
    name: Documentation
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
      
      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@stable
      
      - name: Check documentation
        env:
          RUSTDOCFLAGS: "-D warnings"
        run: cargo doc --no-deps --all-features --package pdbrust

  security:
    name: Security
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
      
      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@stable
      
      - name: Install cargo-audit
        run: cargo install cargo-audit
      
      - name: Run security audit
        run: cargo audit
        continue-on-error: true  # Advisory - don't block on security for now

  release:
    name: Release
    needs: [test, lint, security]
    runs-on: ubuntu-latest
    if: startsWith(github.ref, 'refs/tags/')
    steps:
      - uses: actions/checkout@v4
      
      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@stable
      
      - name: Publish to crates.io
        run: cargo publish --token ${{ secrets.CRATES_IO_TOKEN }}