abacus-develop/.github/workflows/toolchain_full.yaml at 20700fb04ef686df8d811b2c26c746ebf0da53e2 · maki49/abacus-develop · GitHub

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name: Toolchain Full Build Test
on:
  schedule:
    - cron: "0 0 * * 0"
  workflow_dispatch:
    inputs:
      variants:
        description: "Comma-separated variants: gnu,intel,cuda"
        required: false
        default: "gnu,intel,cuda"

defaults:
  run:
    shell: bash

jobs:
  full-build-gnu:
    if: contains(inputs.variants || 'gnu,intel,cuda', 'gnu')
    runs-on: X64
    container:
      image: ghcr.io/deepmodeling/abacus-gnu
    steps:
      - name: Checkout
        uses: actions/checkout@v7
      - name: Install requirements
        run: |
          set -euo pipefail
          cd toolchain/root_requirements
          sudo ./install_requirements_ubuntu.sh
      - name: Build toolchain
        run: |
          set -euo pipefail
          cd toolchain
          ./toolchain_gnu.sh
      - name: Build ABACUS
        run: |
          set -euo pipefail
          cd toolchain
          ./build_abacus_gnu.sh
          cd ..
          ./bin/abacus --version || true
      - name: Upload logs
        if: always()
        uses: actions/upload-artifact@v7
        with:
          name: toolchain-full-gnu
          path: |
            toolchain/compile.log
            toolchain/compile.err
            toolchain/install/setup
            toolchain/build/**/make.log
            toolchain/build/**/configure.log
            toolchain/build/**/cmake.log
          if-no-files-found: ignore

  full-build-intel:
    if: contains(inputs.variants || 'gnu,intel,cuda', 'intel')
    runs-on: X64
    container:
      image: ghcr.io/deepmodeling/abacus-intel
    steps:
      - name: Checkout
        uses: actions/checkout@v7
      - name: Install requirements
        run: |
          set -euo pipefail
          cd toolchain/root_requirements
          sudo ./install_requirements_ubuntu.sh
      - name: Build toolchain
        run: |
          set -euo pipefail
          cd toolchain
          ./toolchain_intel.sh
      - name: Build ABACUS
        run: |
          set -euo pipefail
          cd toolchain
          ./build_abacus_intel.sh
          cd ..
          ./bin/abacus --version || true
      - name: Upload logs
        if: always()
        uses: actions/upload-artifact@v7
        with:
          name: toolchain-full-intel
          path: |
            toolchain/compile.log
            toolchain/compile.err
            toolchain/install/setup
            toolchain/build/**/make.log
            toolchain/build/**/configure.log
            toolchain/build/**/cmake.log
          if-no-files-found: ignore

  full-build-cuda:
    if: contains(inputs.variants || 'gnu,intel,cuda', 'cuda')
    runs-on: gpu
    steps:
      - name: Checkout
        uses: actions/checkout@v7
      - name: Install requirements
        run: |
          set -euo pipefail
          if [ -f /etc/os-release ]; then . /etc/os-release; fi
          if [ "${ID:-}" = "ubuntu" ] || [ "${ID_LIKE:-}" = "debian" ]; then
            sudo ./toolchain/root_requirements/install_requirements_ubuntu.sh
          elif [ "${ID:-}" = "fedora" ] || [ "${ID_LIKE:-}" = "rhel fedora" ]; then
            sudo ./toolchain/root_requirements/install_requirements_fedora.sh
          else
            exit 1
          fi
      - name: Prepare CUDA and NVHPC
        run: |
          set -euo pipefail
          if command -v nvidia-smi >/dev/null 2>&1; then
            nvidia-smi
            cap="$(nvidia-smi --query-gpu=compute_cap --format=csv,noheader | head -n 1 | tr -d '.' | xargs || true)"
          fi
          if [ -z "${cap:-}" ]; then cap="70"; fi
          echo "GPU_CAP=${cap}" >> "$GITHUB_ENV"
          if command -v module >/dev/null 2>&1; then
            module use /opt/nvidia/hpc_sdk/modulefiles || true
            module load nvhpc/26.1 || module load nvhpc-hpcx-cuda12/25.3
          else
            exit 1
          fi
          if [ -d /usr/local/cuda ]; then
            echo "CUDA_PATH=/usr/local/cuda" >> "$GITHUB_ENV"
          fi
      - name: Build toolchain
        run: |
          set -euo pipefail
          cd toolchain
          ./toolchain_gnu.sh --enable-cuda --gpu-ver "${GPU_CAP}"
      - name: Build ABACUS
        run: |
          set -euo pipefail
          cd toolchain
          ./build_abacus_gnu.sh
          cd ..
          ./bin/abacus --version || true
      - name: Upload logs
        if: always()
        uses: actions/upload-artifact@v7
        with:
          name: toolchain-full-cuda
          path: |
            toolchain/compile.log
            toolchain/compile.err
            toolchain/install/setup
          if-no-files-found: ignore