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

* Add check for parameter yaml to ensure consistence with source

* Add doc check to integration test workflow

* Update test.yml

* Keep docs up to date

---------

Co-authored-by: Mohan Chen <mohanchen@pku.edu.cn>

Author: Cstandardlib

.github/workflows/test.yml

@@ -84,195 +84,223 @@ jobs:
           cmake --build build -j8
           cmake --install build
 
+      - name: Check documentation consistency
+        run: |
+          ABACUS_BIN=$(find build -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'