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Add check for parameter yaml to ensure consistence with source #7592

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801359e
Add check for parameter yaml to ensure consistence with source
Cstandardlib Jul 4, 2026
ff7c191
Merge branch 'develop' into docs/yml
Cstandardlib Jul 4, 2026
4217378
Add doc check to integration test workflow
Cstandardlib Jul 6, 2026
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82 changes: 55 additions & 27 deletions .github/workflows/test.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -84,195 +84,223 @@ jobs:
cmake --build build -j8
cmake --install build

- name: Check documentation consistency
run: |
ABACUS_BIN=$(find build -maxdepth 1 -name "abacus_*" -type f -executable | head -1)
echo "Using binary: ${ABACUS_BIN}"

# Check 1: parameters.yaml matches C++ Input_Item definitions
${ABACUS_BIN} --generate-parameters-yaml > /tmp/parameters_generated.yaml
if ! diff -q docs/parameters.yaml /tmp/parameters_generated.yaml; then
echo "error: docs/parameters.yaml is out of sync with C++ source"
echo "Fix: ${ABACUS_BIN} --generate-parameters-yaml > docs/parameters.yaml"
diff docs/parameters.yaml /tmp/parameters_generated.yaml || true
exit 1
fi
echo " parameters.yaml: OK"

# Check 2: input-main.md matches regenerated markdown
pip install -q pyyaml
python docs/generate_input_main.py \
/tmp/parameters_generated.yaml \
--output /tmp/input-main-generated.md
if ! diff -q docs/advanced/input_files/input-main.md /tmp/input-main-generated.md; then
echo "error: input-main.md is out of sync"
echo "Fix: python docs/generate_input_main.py docs/parameters.yaml"
diff docs/advanced/input_files/input-main.md /tmp/input-main-generated.md || true
exit 1
fi
echo " input-main.md: OK"

- name: Integrated Tests Preparation
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R integrated_test

- name: Module_Base Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_BASE

- name: Module_IO Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_IO

- name: Module_HSolver Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_HSOLVER -E PERF_MODULE_HSOLVER_KERNELS

- name: Module_Cell Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_CELL

- name: Module_MD Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_MD

- name: Module_Psi Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_PSI

- name: Module_RI Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_RI

- name: Module_Estate Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_ESTATE

- name: Module_Hamilt Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_HAMILT

- name: Module_PW Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_PW

- name: Module_LCAO Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_LCAO

- name: Module_AO Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_AO

- name: Module_NAO Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_NAO

- name: Module_RELAX Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_RELAX

- name: Module_LR Unittests
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R MODULE_LR

- name: 01_PW Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 01_PW

- name: 02_NAO_Gamma Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 02_NAO_Gamma

- name: 03_NAO_multik Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 03_NAO_multik

- name: 04_FF Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 04_FF

- name: 05_rtTDDFT Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 05_rtTDDFT

- name: 06_SDFT Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 06_SDFT

- name: 07_OFDFT Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 07_OFDFT

- name: 08_EXX Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 08_EXX

- name: 09_DeePKS Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 09_DeePKS

- name: 10_others Test
env:
GTEST_COLOR: 'yes'
OMP_NUM_THREADS: '2'
run: |
ctest --test-dir build -V --timeout 1700 -R 10_others

# - name: 17_DS_DFTU Test
# env:
# GTEST_COLOR: 'yes'
# OMP_NUM_THREADS: '2'
# run: |
# ctest --test-dir build -V --timeout 1700 -R 17_DS_DFTU

- name: Other Unittests
env:
GTEST_COLOR: 'yes'
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