basictest_win.yml

name: basictest_win

on:
  push:
  pull_request:

jobs:
  build:
    runs-on: windows-latest

    steps:
    - name: Checkout
      uses: actions/checkout@v4
      with:
        path: src

    - name: Setup python
      uses: actions/setup-python@v5
      with:
        python-version: 3.11

    #- name: Pip upgrade
    #  shell: cmd
    #  run: |
    #    python3 -m pip install -U pip
    #    python3 -m pip install -U setuptools
    #    python3 -m pip install -U scikit-build-core

      #NB: We don't test matplotlib import here in the next step, since we want
      #to make sure that our CTest infrastructure correctly avoids problems from
      #"building font cache" printouts on first imports.
    - name: pip install extra deps
      shell: cmd
      run: |
        python -mpip install numpy matplotlib gemmi spglib ase mpmath
        python -c "import numpy; print('numpy imported ok')"
        python -c "import gemmi; print('gemmi imported ok')"
        python -c "import spglib; print('spglib imported ok')"
        python -c "import ase; print('ase imported ok')"
        python -c "import mpmath; print('mpmath imported ok')"

    - name: Monolithic pip install of repo
      shell: cmd
      run: python3 -m pip install .\src\

    - name: Various commandline tests
      shell: cmd
      run: |
        ncrystal-config --summary
        ncrystal-config --help
        python3 -c "import NCrystal; NCrystal.test()"
        python3 -c "import NCrystal as n; mat=n.load('Al_sg225.ncmat;temp=350K'); mat.dump()"
        nctool --test
        nctool --dump Al_sg225.ncmat
        python3 -mNCrystal nctool --test
        python3 ./src/examples/ncrystal_example_py
        ncrystal_vdos2ncmat --help
        ncrystal_cif2ncmat --help
        ncrystal_ncmat2cpp --help
        ncrystal_hfg2ncmat --help
        ncrystal_verifyatompos --help
        ncrystal_cif2ncmat codid::9008460
        ncrystal_ncmat2hkl --help
        ncrystal_ncmat2hkl --format=laz 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test_Al.laz
        ncrystal_ncmat2hkl --format=lau 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test_Al.lau
        nctool -d ./test_Al.laz
        nctool -d ./test_Al.lau
        ncrystal_ncmat2cpp $(ncrystal-config --show datadir)/Al_sg225.ncmat -o test.cpp
        cat test.cpp
        nctool --pdf Al_sg225.ncmat


#TODO:
#        python3 ./src/examples/ncrystal_example_py
#
#

##    - name: Setup tmate session for manual debugging
##      uses: mxschmitt/action-tmate@v3
##      if: always()
##      with:
##        limit-access-to-actor: true