test.yaml

name: Test

on: [push]

jobs:
  test_main:
    # strategy:
    #   matrix:
    runs-on: ubuntu-latest

    steps:
      - name: calculate cache key for the compilation
        id: get-key
        run: |
          git clone --bare https://github.com/plumed/plumed2.git
          stable=$(cd plumed2.git ; git branch --list 'v2.*' --sort='version:refname'| sed "s/^ *//" | grep '^v2\.[0-9]*$' | tail -n 1)
          echo "key=$(cd plumed2.git ; git rev-parse "$stable")" >> $GITHUB_OUTPUT
      - uses: actions/cache@v4
        with:
          path: ~/.ccache
          key: ccache-${{ runner.os }}-stable-${{ steps.get-key.outputs.key }}
          restore-keys: ccache-${{ runner.os }}-stable
      - name: Set paths
        run: |
            echo "$HOME/opt/bin" >> $GITHUB_PATH
            echo "CPATH=$HOME/opt/include:$HOME/opt/libtorch/include/torch/csrc/api/include/:$HOME/opt/libtorch/include/:$HOME/opt/libtorch/include/torch:$CPATH" >> $GITHUB_ENV
            echo "INCLUDE=$HOME/opt/include:$HOME/opt/libtorch/include/torch/csrc/api/include/:$HOME/opt/libtorch/include/:$HOME/opt/libtorch/include/torch:$INCLUDE" >> $GITHUB_ENV
            echo "LIBRARY_PATH=$HOME/opt/lib:$HOME/opt/libtorch/lib:$LIBRARY_PATH" >> $GITHUB_ENV
            echo "LD_LIBRARY_PATH=$HOME/opt/lib:$HOME/opt/libtorch/lib:$LD_LIBRARY_PATH" >> $GITHUB_ENV
            echo "PYTHONPATH=$HOME/opt/lib/plumed/python:$PYTHONPATH" >> $GITHUB_ENV
            # needed to avoid MPI warning
            echo "OMPI_MCA_btl=^openib" >> $GITHUB_ENV
      - name: Install dependencies
        run: |
          sudo apt update
          sudo apt install mpi-default-bin mpi-default-dev
          sudo apt install libfftw3-dev gsl-bin libgsl0-dev libboost-serialization-dev
          sudo apt install ccache
          ccache -p
    #   - name: install plumed
    #     uses: Iximiel/install-plumed@main
    #     with:
    #       modules: "reset"
    #       dependency_path: "${{ github.workspace }}/_data"
    #       CC: "ccache mpicc"
    #       CXX: "ccache mpic++"
    #     id: plumed
    #   - name: run plumed
    #     run: |
    #       echo "plumed path:${{ steps.plumed.outputs.plumed_prefx }}"
    #       ls ${{ steps.plumed.outputs.plumed_prefx }}/bin
    #       head ${{ steps.plumed.outputs.dependency_file }}
    #       plumed info --version

  test_conf_fail:
    # strategy:
    #   matrix:
    runs-on: ubuntu-latest

    steps:
      - name: install plumed
        continue-on-error: true
        uses: Iximiel/install-plumed@main
        with:
          modules: "reset"
          CXX: "not a valid compiler"
        id: plumed
      - name: check if a failure occured
        run: |
          if [[ ${{ steps.plumed.outcome }} == 'failure' ]]; then echo "Plumed installation failed as expected"; exit 0; else echo "Plumed installation did not failed as expected"; exit 1; fi

#   test_stable:
#     # strategy:
#     #   matrix:
#     runs-on: ubuntu-latest

#     steps:
#     - uses: Iximiel/install-plumed@v1
#     - name: run plumed
#       run: |
#         plumed --version