[Try] Test libxc-7.1.0 in CI

Author: Growl1234

.github/workflows/test.yml

@@ -46,11 +46,13 @@ jobs:
             ninja-build \
             xz-utils
           sudo pip install clang-format clang-tidy
+          sudo apt-get remove libxc-dev -y
 
       - name: Install external tools from toolchain
         run: |
           cd toolchain
           ./install_abacus_toolchain_new.sh --with-dftd4=install --dry-run -j8
+          ./scripts/stage3/install_libxc.sh
           ./scripts/stage4/install_stage4.sh
           cd ..
 
@@ -89,6 +91,7 @@ jobs:
         run: |
           ABACUS_BIN=$(find build -name "abacus_*" -type f -executable | head -1)
           echo "Using binary: ${ABACUS_BIN}"
+          source toolchain/install/setup
 
           # Check 1: parameters.yaml matches C++ Input_Item definitions
           ${ABACUS_BIN} --generate-parameters-yaml > /tmp/parameters_generated.yaml

tests/01_PW/204_PW_SY/INPUT

@@ -22,7 +22,7 @@ smearing_sigma    0.002
 mixing_type       broyden
 mixing_beta       0.7
 
-dft_functional    XC_GGA_X_PBE+XC_GGA_C_PBE
+dft_functional    pbe
 
 cal_force         1
 cal_stress        1