dreid-forge 0.4.2

A pure Rust library and CLI that automates DREIDING force field parameterization by orchestrating structure repair, topology perception, and charge calculation for both biological and chemical systems.
Documentation
name: Release Assets

on:
  release:
    types: [published]

permissions:
  contents: write

env:
  BINARY_PREFIX: dforge

jobs:
  build-cli:
    name: Build CLI for ${{ matrix.target }} on ${{ matrix.os_name }}
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        include:
          - os: ubuntu-latest
            os_name: "Linux x86_64"
            target: x86_64-unknown-linux-gnu
          - os: ubuntu-24.04-arm
            os_name: "Linux aarch64"
            target: aarch64-unknown-linux-gnu
          - os: macos-15-intel
            os_name: "macOS x86_64"
            target: x86_64-apple-darwin
          - os: macos-14
            os_name: "macOS aarch64"
            target: aarch64-apple-darwin
          - os: windows-latest
            os_name: "Windows x86_64"
            target: x86_64-pc-windows-msvc

    steps:
      - name: Checkout repository
        uses: actions/checkout@v4

      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@stable
        with:
          targets: ${{ matrix.target }}

      - name: Build binary
        shell: bash
        run: cargo build --bin dforge --features cli --release --target ${{ matrix.target }}
        env:
          CARGO_TERM_COLOR: always

      - name: Prepare package content
        shell: bash
        run: |
          ARTIFACT_DIR="dist"
          mkdir -p $ARTIFACT_DIR

          RELEASE_VERSION=$(echo "${{ github.ref_name }}" | sed 's/v//')

          if [[ "${{ matrix.target }}" == *"-windows-"* ]]; then
            BINARY_NAME="dforge.exe"
            ARCHIVE_NAME="${{ env.BINARY_PREFIX }}-v${RELEASE_VERSION}-${{ matrix.target }}.zip"
          else
            BINARY_NAME="dforge"
            ARCHIVE_NAME="${{ env.BINARY_PREFIX }}-v${RELEASE_VERSION}-${{ matrix.target }}.tar.gz"
          fi

          SOURCE_PATH="target/${{ matrix.target }}/release/$BINARY_NAME"

          cp "$SOURCE_PATH" "$ARTIFACT_DIR/$BINARY_NAME"
          cp LICENSE README.md MANUAL.md "$ARTIFACT_DIR/"

          cd $ARTIFACT_DIR

          if [[ "${{ matrix.target }}" == *"-windows-"* ]]; then
            7z a "../$ARCHIVE_NAME" .
          else
            tar -czf "../$ARCHIVE_NAME" .
          fi
          cd ..

          echo "ARCHIVE_PATH=${ARCHIVE_NAME}" >> $GITHUB_ENV

      - name: Upload artifact
        uses: actions/upload-artifact@v4
        with:
          name: cli-${{ matrix.target }}
          path: ${{ env.ARCHIVE_PATH }}
          retention-days: 1

  upload-assets:
    name: Upload Assets to Release
    needs: [build-cli]
    runs-on: ubuntu-latest

    steps:
      - name: Download all artifacts
        uses: actions/download-artifact@v4
        with:
          path: artifacts/

      - name: List downloaded artifacts
        run: ls -R artifacts

      - name: Upload assets to GitHub Release
        uses: svenstaro/upload-release-action@v2
        with:
          repo_token: ${{ secrets.GITHUB_TOKEN }}
          file: artifacts/**/*.*
          tag: ${{ github.ref }}
          overwrite: true
          file_glob: true