CI: more debugging of rpath-link issues #198
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| 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 |