ci.yml

name: Build and Test

on:
  push:
    branches: [master]
  pull_request:
    branches: [master, lf]

jobs:
  build_fortran:
    name: Fortran build
    runs-on: ubuntu-latest
    steps:
      - name: Checkout code
        uses: actions/checkout@v2

      - name: Build dftatom manual
        run: |
          set -ex
          make -f Makefile.manual
          ./tests/atom_U/F_atom_U
          git clean -dfx

      - name: Build dftatom cmake
        run: |
          set -ex
          cmake \
            -DCMAKE_BUILD_TYPE=Debug \
            -DCMAKE_INSTALL_PREFIX="inst" \
            -DWITH_PYTHON=NO \
            -DWITH_LAPACK=NO \
            -DCMAKE_INSTALL_RPATH:STRING="inst/lib" \
            -DCMAKE_INSTALL_RPATH_USE_LINK_PATH:BOOL=ON \
            .
          make
          make install
          ./tests/atom_U/F_atom_U
          ctest -E "conv_lda|conv_rlda|fd"
          git clean -dfx

      - name: Build dftatom cmake lapack
        run: |
          set -ex
          cmake \
            -DCMAKE_BUILD_TYPE=Debug \
            -DCMAKE_INSTALL_PREFIX="inst" \
            -DWITH_PYTHON=NO \
            -DWITH_LAPACK=YES \
            -DCMAKE_INSTALL_RPATH:STRING="inst/lib" \
            -DCMAKE_INSTALL_RPATH_USE_LINK_PATH:BOOL=ON \
            .
          make
          make install
          ./tests/atom_U/F_atom_U
          ctest -E "conv_lda|conv_rlda|fd|rmin_conv|N_conv"


  build_lfortran:
    name: LFortran build
    runs-on: ubuntu-latest
    steps:
      - name: Checkout code
        uses: actions/checkout@v2

      - name: Uninstall gfortran
        run: |
          set -ex
          sudo apt-get purge gfortran

      - uses: mamba-org/setup-micromamba@v1
        with:
          environment-name: lf
          create-args: >-
            lfortran=0.29.0

      - name: Print installed packages information
        shell: bash -l {0}
        run: |
            set -ex
            ! which lfortran
            micromamba env list
            micromamba activate lf
            micromamba list
            which lfortran

      - name: Build dftatom manual
        shell: bash -l {0}
        run: |
          set -ex
          make -f Makefile.manual F90=lfortran F90FLAGS="-I../../src"
          ./tests/atom_U/F_atom_U
          #make -f Makefile.manual test
          git clean -dfx
          make -f Makefile.manual F90="lfortran --skip-pass=inline_function_calls,fma --fast" F90FLAGS="-I../../src"
          ./tests/atom_U/F_atom_U
          #make -f Makefile.manual test
          git clean -dfx

      - name: Build dftatom cmake
        shell: bash -l {0}
        run: |
          set -ex
          cmake -DCMAKE_BUILD_TYPE=Debug .
          make
          ctest -E "conv_lda|conv_rlda"
          git clean -dfx
          cmake -DCMAKE_BUILD_TYPE=Release .
          make
          ctest -E "conv_lda|conv_rlda"


  build_python:
    name: Python build
    runs-on: ubuntu-latest
    steps:
      - name: Checkout code
        uses: actions/checkout@v2

      - name: Install packages
        run: |
          set -ex
          sudo apt-get update
          sudo apt-get install -y python3-numpy cython3 python3-pytest
          sudo ln -s /usr/bin/cython3 /usr/bin/cython
          sudo ln -s /usr/bin/pytest-3 /usr/bin/pytest

      - name: Build dftatom cmake python
        run: |
          set -ex
          cmake \
            -DCMAKE_BUILD_TYPE=Debug \
            -DCMAKE_INSTALL_PREFIX="inst" \
            -DWITH_PYTHON=YES \
            -DWITH_LAPACK=NO \
            -DCMAKE_INSTALL_RPATH:STRING="inst/lib" \
            -DCMAKE_INSTALL_RPATH_USE_LINK_PATH:BOOL=ON \
            .
          make
          PYTHONPATH=. pytest -v