name: QE-CPU Merlin7 Scheduler
run-name: QE-CPU Merlin7 Scheduler
on:
  workflow_dispatch:
  schedule:
    - cron: "0 8 * * *"

jobs:
  checkout:
    runs-on: login001
    steps:
    - name: Source Pmodules profile
      run: |
        export SSL_CERT_FILE=/etc/ssl/ca-bundle.pem
        export REQUESTS_CA_BUNDLE=/etc/ssl/ca-bundle.pem
        PMODULES_VERSION='2.0.0.2'
        source /opt/psi/config/profile.bash
        module use Spack
        module use unstable
        module load gcc/12.3 openmpi/main-syah fftw/3.3.10.6-omp hdf5/1.14.5-t46c openblas/0.3.29-omp cmake/3.31.6-oe7u
        git clone https://gitlab.com/QEF/q-e.git
        cd q-e
        mkdir build
        cd build
        cmake -DQE_ENABLE_MPI:BOOL=ON -DQE_ENABLE_OPENMP:BOOL=ON -DCMAKE_C_COMPILER:STRING=mpicc -DCMAKE_Fortran_COMPILER:STRING=mpif90 -DQE_ENABLE_HDF5:BOOL=ON ..
        make -j 16