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move static configurations from setup.py to pyproject.toml #2144

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merged 3 commits into from
Apr 9, 2024
Merged

move static configurations from setup.py to pyproject.toml #2144

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ef47e14
move testing options to pytest.ini
chillenb Mar 25, 2024
8dff7e7
move static configurations from setup.py to pyproject.toml
chillenb Mar 26, 2024
12109af
Update CI release jobs
sunqm Mar 31, 2024
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move testing options to pytest.ini
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@chillenb
chillenb committed Mar 26, 2024
commit ef47e1493708ad8c375a8a7f38b2e99dada81086
2 changes: 1 addition & 1 deletion .github/workflows/ci.yml
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Expand Up @@ -72,7 +72,7 @@ jobs:
echo 'pbc_tools_pbc_fft_engine = "NUMPY"' > .pyscf_conf.py && \
echo "dftd3_DFTD3PATH = './pyscf/lib/deps/lib'" >> .pyscf_conf.py && \
echo "scf_hf_SCF_mute_chkfile = True" >> .pyscf_conf.py && \
ulimit -s 20000 && /opt/python/${{ matrix.pyver }}/bin/pytest pyscf/ --ignore=pyscf/adc --ignore=pyscf/pbc/df --ignore=pyscf/pbc/cc -s -c setup.cfg pyscf'
ulimit -s 20000 && /opt/python/${{ matrix.pyver }}/bin/pytest pyscf/ --ignore=pyscf/adc --ignore=pyscf/pbc/df --ignore=pyscf/pbc/cc -s -c pytest.ini pyscf'

macos-build:
runs-on: macos-latest
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4 changes: 2 additions & 2 deletions .github/workflows/run_tests.sh
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Expand Up @@ -10,8 +10,8 @@ echo "scf_hf_SCF_mute_chkfile = True" >> .pyscf_conf.py
version=$(python -c 'import sys; print("{0}.{1}".format(*sys.version_info[:2]))')
# pytest-cov on Python 3.12 consumes huge memory
if [ "$RUNNER_OS" == "Linux" ] && [ $version != "3.12" ]; then
pytest pyscf/ -s -c setup.cfg \
pytest pyscf/ -s -c pytest.ini \
--cov-report xml --cov-report term --cov-config .coveragerc --cov pyscf
else
pytest pyscf/ -s -c setup.cfg pyscf
pytest pyscf/ -s -c pytest.ini pyscf
fi
8 changes: 2 additions & 6 deletions setup.cfg → pytest.ini
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@@ -1,9 +1,4 @@
[egg_info]
tag_build =
tag_date = 0
tag_svn_revision = 0

[tool:pytest]
[pytest]
addopts = --import-mode=importlib
-k "not _high_cost and not _skip"
--ignore=examples
Expand All @@ -13,3 +8,4 @@ addopts = --import-mode=importlib
--ignore-glob="*test_bz*"
--ignore-glob="*pbc/cc/test/*test_h_*.py"
--ignore-glob="*test_ks_noimport*.py"