.gitlab-ci.yml

image: gitlab-registry.mpcdf.mpg.de/tpurcell/cpp_sisso

stages:
  - build
  - unit_test
  - bin_test
  - doc_builds

build-intel-base:
  stage: build
  script:
    - mkdir build_intel_base/
    - cd build_intel_base/
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=OFF -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../intel_base/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - intel_base/
    expire_in: 1 days

build-intel-py:
  stage: build
  script:
    - python -m venv cpp_sisso_env_intel_py
    - source cpp_sisso_env_intel_py/bin/activate
    - mkdir build_intel_py/
    - cd build_intel_py/
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_py/lib/python3.7/site-packages/
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=OFF -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../intel_py/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - intep_py/
      - cpp_sisso_env_intel_py/*
    expire_in: 1 days

build-intel-param:
  stage: build
  script:
    - mkdir build_intel_param/
    - cd build_intel_param/
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../intel_param/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - intel_param/
    expire_in: 1 days

build-intel-param-py:
  stage: build
  script:
    - python -m venv cpp_sisso_env_intel_param_py
    - source cpp_sisso_env_intel_param_py/bin/activate
    - mkdir build_intel/
    - cd build_intel/
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_param_py/lib/python3.7/site-packages/
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../intel_param_py/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - intel_param_py/
      - cpp_sisso_env_intel_param_py/
    expire_in: 1 days

test-intel-pytest-py:
  stage: unit_test
  dependencies:
    - build-intel-py
  script:
    - source cpp_sisso_env_intel_py/bin/activate
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_py/lib/python3.7/site-packages/
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - pytest --ignore=tests/pytest/test_param.py --ignore=tests/pytest/test_feature_creation/test_parameterize/ --ignore=tests/pytest/test_model_eval/test_param_model_node/ --ignore=tests/pytest/test_model_eval/test_models/test_reg_model_param.py tests/pytest

test-intel-pytest-param-py:
  stage: unit_test
  dependencies:
    - build-intel-param-py
  script:
    - source cpp_sisso_env_intel_param_py/bin/activate
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_param_py/lib/python3.7/site-packages/
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - pytest tests/pytest

test-intel-base-googletest:
  stage: unit_test
  dependencies:
    - build-intel-base
  script:
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - cd intel_base/tests/
    - googletest/sisso_test

test-intel-param-googletest:
  stage: unit_test
  dependencies:
    - build-intel-param
  script:
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - cd intel_base/tests/
    - googletest/sisso_test

test-intel-bin-param:
  stage: bin_test
  dependencies:
    - build-intel-param-py
  script:
    - source cpp_sisso_env_intel_param_py/bin/activate
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_param_py/lib/python3.7/site-packages/
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - export OMP_NUM_THREADS=1
    - cd tests/exec_test/default/
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../classification/
    - mpiexec -n 1 ../../../bin/sisso++
    - python check_model.py
    - cd ../gen_proj
    - mpiexec -n 2 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../log_reg
    - mpiexec -n 2 ../../../bin/sisso++
    - python check_model.py
    - cd ../max_corr
    - mpiexec -n 2 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../param
    - mpiexec -n 2 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../reparam
    - mpiexec -n 2 ../../../bin/sisso++
    - python check_model.py
    - cd ../../../

test-intel-bin-base:
  stage: bin_test
  dependencies:
    - build-intel-py
  script:
    - source cpp_sisso_env_intel_py/bin/activate
    - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
    - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
    - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
    - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_py/lib/python3.7/site-packages/
    - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
    - export OMP_NUM_THREADS=1
    - cd tests/exec_test/default/
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../classification/
    - mpiexec -n 1 ../../../bin/sisso++
    - python check_model.py
    - cd ../gen_proj
    - mpiexec -n 2 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../log_reg
    - mpiexec -n 2 ../../../bin/sisso++
    - python check_model.py
    - cd ../max_corr
    - mpiexec -n 2 ../../../bin/sisso++
    - cd ../../../

build-gnu-base:
  stage: build
  script:
    - conda info --envs
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - mkdir build_gcc_base/
    - cd build_gcc_base/
    - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=OFF -DBUILD_PYTHON=OFF  -DCMAKE_INSTALL_PREFIX=../gcc_base/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - gcc_base/

build-gnu-param:
  stage: build
  script:
    - conda info --envs
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - mkdir build_gcc_param/
    - cd build_gcc_param/
    - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=OFF  -DCMAKE_INSTALL_PREFIX=../gcc_param/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - gcc_param/

build-gnu-py:
  stage: build
  script:
    - conda info --envs
    - python -m venv cpp_sisso_gcc_py_env
    - source cpp_sisso_gcc_py_env/bin/activate
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gcc_py_env/lib/python3.7/site-packages/
    - mkdir build_py/
    - cd build_py/
    - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=OFF -DBUILD_PYTHON=ON  -DCMAKE_INSTALL_PREFIX=../gcc_py/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - gcc_py/
      - cpp_sisso_gcc_py_env/

build-gnu-param-py:
  stage: build
  script:
    - conda info --envs
    - python -m venv cpp_sisso_gcc_param_py_env
    - source cpp_sisso_gcc_param_py_env/bin/activate
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gcc_param_py_env/lib/python3.7/site-packages/
    - mkdir build_param_py/
    - cd build_param_py/
    - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON  -DCMAKE_INSTALL_PREFIX=../gcc_param_py/ ../
    - make
    - make install
    - cd ../
  artifacts:
    when: always
    paths:
      - gcc_param_py/
      - cpp_sisso_gcc_param_py_env/

test-gnu-pytest-py:
  stage: unit_test
  dependencies:
    - build-gnu-py
  script:
    - source cpp_sisso_gcc_py_env/bin/activate
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gcc_py_env/lib/python3.7/site-packages/
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - pytest --ignore=tests/pytest/test_param.py --ignore=tests/pytest/test_feature_creation/test_parameterize/ --ignore=tests/pytest/test_model_eval/test_param_model_node/ --ignore=tests/pytest/test_model_eval/test_models/test_reg_model_param.py tests/pytest

test-gnu-pytest-param-py:
  stage: unit_test
  dependencies:
    - build-gnu-param-py
  script:
    - source cpp_sisso_gcc_param_py_env/bin/activate
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gcc_param_py_env/lib/python3.7/site-packages/
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - pytest tests/pytest

test-gnu-base-googletest:
  stage: unit_test
  dependencies:
    - build-gnu-base
  script:
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - cd gcc_base/tests/
    - googletest/sisso_test

test-gnu-param-googletest:
  stage: unit_test
  dependencies:
    - build-gnu-param
  script:
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - cd gcc_param/tests/
    - googletest/sisso_test


test-gnu-googletest:
  stage: unit_test
  dependencies:
    - build-gnu
  script:
    - source cpp_sisso_env/bin/activate
    - export OMP_NUM_THREADS=2
    - export OMP_PLACES=cores
    - cd tests/
    - googletest/sisso_test

test-gnu-bin-param:
  stage: bin_test
  dependencies:
    - build-gnu-param-py
  script:
    - source cpp_sisso_gcc_param_py_env/bin/activate
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gcc_param_py_env/lib/python3.7/site-packages/
    - export OMP_NUM_THREADS=1
    - cd tests/exec_test/default/
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../classification/
    - mpiexec -n 1 ../../../bin/sisso++
    - python check_model.py
    - cd ../gen_proj
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../log_reg
    - mpiexec -n 1 ../../../bin/sisso++
    - python check_model.py
    - cd ../max_corr
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../param
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../reparam
    - mpiexec -n 1 ../../../bin/sisso++
    - python check_model.py
    - cd ../../../

test-gnu-bin-base:
  stage: bin_test
  dependencies:
    - build-gnu-py
  script:
    - source cpp_sisso_gcc_py_env/bin/activate
    - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
    - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gcc_py_env/lib/python3.7/site-packages/
    - export OMP_NUM_THREADS=1
    - cd tests/exec_test/default/
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../classification/
    - mpiexec -n 1 ../../../bin/sisso++
    - python check_model.py
    - cd ../gen_proj
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../log_reg
    - mpiexec -n 1 ../../../bin/sisso++
    - python check_model.py
    - cd ../max_corr
    - mpiexec -n 1 ../../../bin/sisso++
    - python ../check_model.py
    - cd ../../../

pages:
  stage: doc_builds
  script:
    - source cpp_sisso_env/bin/activate
    - cd docs/
    - make html
    - mv _build/html/ ../public
  artifacts:
    paths:
    - public
  only:
  - master
  - docs
  - joss