quick.yml

# Quick checks that run the defaults for bootstrap.py for linux, macOS and Windows

name: quick
on: [push, workflow_dispatch]

jobs:
  download_source:

    name: Check out sources
    runs-on: ubuntu-latest
    steps:

      - name: Initial setup
        run: |
          set -xe
          pwd
          echo ${{ github.workspace }}
          mkdir -p ./modules
          mkdir -p ~/tmp

      - name: Setup source cache
        id: modules-cache
        uses: actions/cache@v5
        with:
          path: ./modules
          enableCrossOsArchive: true
          key: modules-${{ github.sha }}
          restore-keys: |
            modules

      - name: Check out cctbx_project
        uses: actions/checkout@v6
        with:
          path: ./modules/cctbx_project_checkout

      - name: Update other sources and keep cctbx_project checkout
        run: |
          set -xe
          pwd
          ls
          mv ./modules/cctbx_project_checkout ~/tmp/cctbx_project
          cp ~/tmp/cctbx_project/libtbx/auto_build/bootstrap.py .
          python bootstrap.py hot update
          cd modules
          rm -fr cctbx_project
          mv ~/tmp/cctbx_project .
          cd ..
          rm bootstrap.py

# -----------------------------------------------------------------------------
  quick_unix_checks:
    needs: download_source
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest, macos-latest]

    name: Default bootstrap on ${{ matrix.os }}
    runs-on: ${{ matrix.os }}
    steps:

      - name: Initial setup
        run: |
          set -xe
          pwd
          echo ${{ github.workspace }}
          mkdir -p ./build

      - name: Setup source cache
        id: modules-cache
        uses: actions/cache@v5
        with:
          path: ./modules
          enableCrossOsArchive: true
          fail-on-cache-miss: true
          key: modules-${{ github.sha }}

      - name: Setup build cache
        id: build-cache
        uses: actions/cache@v5
        with:
          path: ./build
          key: ${{ runner.os }}-build-${{ github.sha }}
          restore-keys: |
            ${{ runner.os }}-build

      - name: Setup conda
        uses: conda-incubator/setup-miniconda@v3
        with:
          miniforge-version: latest
          channels: conda-forge
          conda-remove-defaults: "true"

      - name: Setup conda package cache
        id: cache-conda-packages
        uses: actions/cache@v5
        with:
          path: ~/conda_pkgs_dir
          key: ${{ runner.os }}-conda-cache-${{ hashFiles('./modules/cctbx_project/libtbx/auto_build/conda_envs') }}

      - name: Download phenix_examples, phenix_regression
        run: |
          set -xe
          source ${CONDA}/etc/profile.d/conda.sh
          conda activate base
          cd ./modules
          curl -O https://raw.githubusercontent.com/cctbx/cctbx/refs/heads/master/scripts/download-azure-artifact.py
          for artifact in phenix_examples phenix_regression; do
            python download-azure-artifact.py \
              --organization cctbx \
              --project cctbx_project \
              --definitions 4 \
              --artifact-name $artifact \
              --local-filename ${artifact}.zip
            unzip ${artifact}.zip
            rm ${artifact}.zip
          done

      - name: Base environment info
        run: |
          set -xe
          source ${CONDA}/etc/profile.d/conda.sh
          conda info
          conda list
          pwd
          ls
          ls ./modules
          df -h

      - name: Skip build cache, if requested
        if: contains(github.event.head_commit.message, '[skip cache]')
        run: |
          set -xe
          rm -fr ./build
          ls

      - name: Run bootstrap.py
        run: |
          set -xe
          pwd
          ln -s ./modules/cctbx_project/libtbx/auto_build/bootstrap.py .
          python ./modules/cctbx_project/libtbx/auto_build/bootstrap.py base build --nproc=4
          source ./build/setpaths.sh
          libtbx.configure \
            cma_es \
            fable \
            rstbx \
            spotfinder \
            cbflib_adaptbx \
            phenix_regression \
            phenix_examples
          cd build
          libtbx.scons -j 4
          libtbx.scons -j 4

      - name: Run tests
        run: |
          set -xe
          pwd
          source ./build/setpaths.sh
          rm -fr tests
          mkdir tests
          cd tests
          export PYTHONDEVMODE=1
          export PYTHONTRACEMALLOC=1
          libtbx.run_tests_parallel \
            module=annlib_adaptbx \
            module=boost_adaptbx \
            module=cbflib_adaptbx \
            module=cctbx \
            module=cctbx_website \
            module=cma_es \
            module=fable \
            module=gltbx \
            module=iotbx \
            module=libtbx \
            module=rstbx \
            module=scitbx \
            module=crys3d \
            module=smtbx \
            module=spotfinder \
            module=xcif \
            nproc=4

# -----------------------------------------------------------------------------
  quick_win_checks:
    needs: download_source
    strategy:
      fail-fast: false
      matrix:
        os: [windows-latest]

    name: Default bootstrap on ${{ matrix.os }}
    runs-on: ${{ matrix.os }}
    steps:

      - name: Initial setup
        shell: bash
        run: |
          set -xe
          pwd
          echo ${{ github.workspace }}
          mkdir -p ./build
          mkdir -p ./modules

      - name: Setup source cache
        id: modules-cache
        uses: actions/cache@v5
        with:
          path: ./modules
          enableCrossOsArchive: true
          fail-on-cache-miss: true
          key: modules-${{ github.sha }}

      - name: Setup build cache
        id: build-cache
        uses: actions/cache@v5
        with:
          path: ./build
          key: ${{ runner.os }}-build-${{ github.sha }}
          restore-keys: |
            ${{ runner.os }}-build

      - name: Setup conda
        uses: conda-incubator/setup-miniconda@v3
        with:
          miniforge-version: latest
          channels: conda-forge
          conda-remove-defaults: "true"

      - name: Setup conda package cache
        id: cache-conda-packages
        uses: actions/cache@v5
        with:
          path: ~/conda_pkgs_dir
          key: ${{ runner.os }}-conda-cache-${{ hashFiles('.\\modules\\cctbx_project\\libtbx\\auto_build\\conda_envs') }}

      - name: Download phenix_examples, phenix_regression
        shell: cmd
        run: |
          call %CONDA%\condabin\conda.bat activate base
          call %CONDA%\condabin\conda.bat install -y curl
          cd ./modules
          curl -O https://raw.githubusercontent.com/cctbx/cctbx/refs/heads/master/scripts/download-azure-artifact.py
          python download-azure-artifact.py ^
            --organization cctbx ^
            --project cctbx_project ^
            --definitions 4 ^
            --artifact-name phenix_examples ^
            --local-filename phenix_examples.zip
          if %errorlevel% neq 0 exit /b %errorlevel%
          unzip phenix_examples.zip
          if %errorlevel% neq 0 exit /b %errorlevel%
          del phenix_examples.zip
          if %errorlevel% neq 0 exit /b %errorlevel%
          python download-azure-artifact.py ^
            --organization cctbx ^
            --project cctbx_project ^
            --definitions 4 ^
            --artifact-name phenix_regression ^
            --local-filename phenix_regression.zip
          if %errorlevel% neq 0 exit /b %errorlevel%
          unzip phenix_regression.zip
          if %errorlevel% neq 0 exit /b %errorlevel%
          del phenix_regression.zip
          if %errorlevel% neq 0 exit /b %errorlevel%

      - name: Base environment info
        shell: cmd
        run: |
          call %CONDA%\condabin\conda.bat info
          if %errorlevel% neq 0 exit /b %errorlevel%
          call %CONDA%\condabin\conda.bat list
          if %errorlevel% neq 0 exit /b %errorlevel%
          dir ${{ github.workspace }}
          dir ${{ github.workspace }}\modules

      - name: Fix broken cache
        continue-on-error: true
        shell: cmd
        run: |
          del /S /Q .\build\lib\_pycbf.pyd 2> nul

      - name: Skip build cache, if requested
        if: contains(github.event.head_commit.message, '[skip cache]')
        shell: cmd
        run: |
          rmdir /s /q .\build
          dir

      - name: Run bootstrap.py
        shell: cmd
        run: |
          call "C:\Program Files\Microsoft Visual Studio\2022\Enterprise\VC\Auxiliary\Build\vcvarsall.bat" x64
          call %CONDA%\condabin\activate.bat base
          copy .\modules\cctbx_project\libtbx\auto_build\bootstrap.py .
          python .\modules\cctbx_project\libtbx\auto_build\bootstrap.py base build --nproc=4
          if %errorlevel% neq 0 exit /b %errorlevel%
          call .\build\setpaths.bat
          call libtbx.configure ^
            cma_es ^
            fable ^
            rstbx ^
            spotfinder ^
            cbflib_adaptbx
          if %errorlevel% neq 0 exit /b %errorlevel%
          cd build
          call libtbx.scons -j 4
          if %errorlevel% neq 0 exit /b %errorlevel%
          call libtbx.scons -j 4
          if %errorlevel% neq 0 exit /b %errorlevel%

      - name: Run tests
        shell: cmd
        run: |
          call "C:\Program Files\Microsoft Visual Studio\2022\Enterprise\VC\Auxiliary\Build\vcvarsall.bat" x64
          call .\build\setpaths.bat
          rmdir /S /Q tests
          mkdir tests
          cd tests
          set PYTHONDEVMODE=1
          set PYTHONTRACEMALLOC=1
          libtbx.run_tests_parallel ^
            module=annlib_adaptbx ^
            module=boost_adaptbx ^
            module=cbflib_adaptbx ^
            module=cctbx ^
            module=cctbx_website ^
            module=cma_es ^
            module=fable ^
            module=gltbx ^
            module=iotbx ^
            module=libtbx ^
            module=rstbx ^
            module=scitbx ^
            module=crys3d ^
            module=smtbx ^
            module=spotfinder ^
            module=xcif ^
            nproc=4
          if %errorlevel% neq 0 exit /b %errorlevel%