Precommit (bash): Enable space-redirects in shfmt

.github/workflows/precommit.yml

@@ -18,5 +18,3 @@ jobs:
         with:
           python-version: '3.12'
       - uses: pre-commit/action@v3.0.1
-        # TODO: Drop "continue-on-error"
-        continue-on-error: true

.pre-commit-config.yaml

@@ -6,10 +6,10 @@ repos:
       - id: mixed-line-ending
         args: [--fix=lf]
         exclude: '(\.bat|\.cmd)$'
-  - repo: https://github.com/pre-commit/mirrors-clang-format
-    rev: v23.1.3
-    hooks:
-      - id: clang-format
+#  - repo: https://github.com/pre-commit/mirrors-clang-format
+#    rev: v23.1.3
+#    hooks:
+#      - id: clang-format
   - repo: https://github.com/cheshirekow/cmake-format-precommit
     rev: v0.6.13
     hooks:
@@ -19,7 +19,7 @@ repos:
     rev: v3.14.1-1
     hooks:
       - id: shfmt
-        args: [--write, --language-dialect=bash, --indent=2, --case-indent]
+        args: [--write, --language-dialect=bash, --indent=2, --case-indent, --space-redirects]
   - repo: local
     hooks:
       - id: abacus-agent-governance

examples/13_dos/01_pw_Al/run.sh

@@ -14,18 +14,17 @@ OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | t
 
 rm INPUT KPT
 
-if [[ ! -f scf.output ]] || 
-   [[ ! -f nscf.output ]] ||
-   [[ ! -f OUT.ABACUS/running_scf.log ]] ||
-   [[ ! -f OUT.ABACUS/running_nscf.log ]] ||
-   [[ ! -f OUT.ABACUS/doss1.txt ]] ||
-   [[ ! -f OUT.ABACUS/chg.cube ]] ||
-   [[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total  Time  :"* ) ]] ||
-   [[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total  Time  :"* ) ]]
-then
-	echo "job failed!"
-	exit 1
+if [[ ! -f scf.output ]] ||
+  [[ ! -f nscf.output ]] ||
+  [[ ! -f OUT.ABACUS/running_scf.log ]] ||
+  [[ ! -f OUT.ABACUS/running_nscf.log ]] ||
+  [[ ! -f OUT.ABACUS/doss1.txt ]] ||
+  [[ ! -f OUT.ABACUS/chg.cube ]] ||
+  [[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total  Time  :"*) ]] ||
+  [[ ! ("$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total  Time  :"*) ]]; then
+  echo "job failed!"
+  exit 1
 else
-	echo "job succeeded!"
-	exit 0
-fi
+  echo "job succeeded!"
+  exit 0
+fi

examples/13_dos/02_lcao_Si2/run.sh

@@ -14,18 +14,17 @@ OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | t
 
 rm INPUT KPT
 
-if [[ ! -f scf.output ]] || 
-   [[ ! -f nscf.output ]] ||
-   [[ ! -f OUT.ABACUS/running_scf.log ]] ||
-   [[ ! -f OUT.ABACUS/running_nscf.log ]] ||
-   [[ ! -f OUT.ABACUS/doss1.txt ]] ||
-   [[ ! -f OUT.ABACUS/chg.cube ]] ||
-   [[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total  Time  :"* ) ]] ||
-   [[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total  Time  :"* ) ]]
-then
-	echo "job failed!"
-	exit 1
+if [[ ! -f scf.output ]] ||
+  [[ ! -f nscf.output ]] ||
+  [[ ! -f OUT.ABACUS/running_scf.log ]] ||
+  [[ ! -f OUT.ABACUS/running_nscf.log ]] ||
+  [[ ! -f OUT.ABACUS/doss1.txt ]] ||
+  [[ ! -f OUT.ABACUS/chg.cube ]] ||
+  [[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total  Time  :"*) ]] ||
+  [[ ! ("$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total  Time  :"*) ]]; then
+  echo "job failed!"
+  exit 1
 else
-	echo "job succeeded!"
-	exit 0
-fi
+  echo "job succeeded!"
+  exit 0
+fi

examples/32_bsse/01_water/run.sh

@@ -28,11 +28,11 @@ E_O=$(grep FINAL_ETOT_IS OUT.ABACUS/running_scf_O.log | awk '{printf $2}')
 E_H1=$(grep FINAL_ETOT_IS OUT.ABACUS/running_scf_H1.log | awk '{printf $2}')
 E_H2=$(grep FINAL_ETOT_IS OUT.ABACUS/running_scf_H2.log | awk '{printf $2}')
 result=$(echo "scale=12; ${E_H2O} - ${E_O} - ${E_H1} - ${E_H2}" | bc -l)
-echo $result >result.out
-echo "E_H2O: $E_H2O" >>result.out
-echo "E_O: $E_O" >>result.out
-echo "E_H1: $E_H1" >>result.out
-echo "E_H2: $E_H2" >>result.out
+echo $result > result.out
+echo "E_H2O: $E_H2O" >> result.out
+echo "E_O: $E_O" >> result.out
+echo "E_H1: $E_H1" >> result.out
+echo "E_H2: $E_H2" >> result.out
 result_ref=$(cat result.ref | head -1)
 difference=$(echo "scale=12; $result - $result_ref" | bc -l)
 abs_difference=$(echo "scale=12; if ($difference < 0) $difference * -1 else $difference" | bc)

generate_build_info.sh

@@ -23,7 +23,7 @@ OUTPUT_FILE=$1
 get_version_from_command() {
   local cmd="$1"
   local regex="$2"
-  if command -v "$cmd" >/dev/null; then
+  if command -v "$cmd" > /dev/null; then
     local output=$($cmd 2>&1)
     if [[ $output =~ $regex ]]; then
       echo "${BASH_REMATCH[1]}"
@@ -71,7 +71,7 @@ MPI_VERSION="no"
 if [ "${ENABLE_MPI}" == "ON" ]; then
   MPI_IMPLEMENTATION="Unknown"
   MPI_COMPILER="${MPI_CXX_COMPILER:-mpicxx}"
-  if command -v "$MPI_COMPILER" >/dev/null; then
+  if command -v "$MPI_COMPILER" > /dev/null; then
     # Intel MPI (oneAPI)
     version=$(get_version_from_command "$MPI_COMPILER --version" "Intel\(R\) oneAPI DPC\+\+/C\+\+ Compiler ([0-9]+\.[0-9]+\.[0-9]+)")
     if [ -n "$version" ]; then
@@ -103,7 +103,7 @@ if [ "${ENABLE_MPI}" == "ON" ]; then
       fi
     fi
     # Fallback via mpirun
-    if [ -z "$version" ] && command -v mpirun >/dev/null; then
+    if [ -z "$version" ] && command -v mpirun > /dev/null; then
       mr_out=$(mpirun --version 2>&1)
       if [[ $mr_out =~ Open\ MPI\ ([0-9]+\.[0-9]+\.[0-9]+) ]]; then
         MPI_IMPLEMENTATION="OpenMPI"
@@ -125,8 +125,8 @@ OPENMP_VERSION="no"
 if [[ "$CXX_FLAGS" == *"-fopenmp"* ]]; then
   OPENMP_VERSION="yes (version unknown)"
   # Try to get version from compiler
-  if command -v "$CXX_COMPILER_PATH" >/dev/null; then
-    version=$($CXX_COMPILER_PATH -dM -E - </dev/null 2>&1 | grep '#define _OPENMP ' | awk '{print $3}')
+  if command -v "$CXX_COMPILER_PATH" > /dev/null; then
+    version=$($CXX_COMPILER_PATH -dM -E - < /dev/null 2>&1 | grep '#define _OPENMP ' | awk '{print $3}')
     if [ -n "$version" ]; then
       # Convert YYYYMM to a more readable format if possible
       year=$((version / 10000))
@@ -154,8 +154,8 @@ LIBXC_VERSION="no"
 if [ "${ENABLE_LIBXC}" == "ON" ]; then
   LIBXC_VERSION="yes (version unknown)"
   # Try pkg-config first
-  if command -v pkg-config >/dev/null; then
-    version=$(pkg-config --modversion libxc 2>/dev/null)
+  if command -v pkg-config > /dev/null; then
+    version=$(pkg-config --modversion libxc 2> /dev/null)
     if [ -n "$version" ]; then LIBXC_VERSION="yes (v$version)"; fi
   fi
   # Fallback to header
@@ -173,7 +173,7 @@ if [ "${USE_CUDA}" == "ON" ]; then
   if [ -n "$CUDA_HOME" ]; then
     version=$(get_version_from_command "$CUDA_HOME/bin/nvcc --version" "release ([0-9]+\.[0-9]+)")
     if [ -n "$version" ]; then CUDA_VERSION="yes (v$version)"; fi
-  elif command -v nvcc >/dev/null; then
+  elif command -v nvcc > /dev/null; then
     version=$(get_version_from_command "nvcc --version" "release ([0-9]+\.[0-9]+)")
     if [ -n "$version" ]; then CUDA_VERSION="yes (v$version)"; fi
   fi
@@ -186,7 +186,7 @@ if [ "${USE_ROCM}" == "ON" ]; then
   if [ -n "$ROCM_PATH" ]; then
     version=$(get_version_from_command "$ROCM_PATH/bin/hipcc --version" "HIP version: ([0-9]+\.[0-9]+\.[0-9]+)")
     if [ -n "$version" ]; then ROCM_VERSION="yes (v$version)"; fi
-  elif command -v hipcc >/dev/null; then
+  elif command -v hipcc > /dev/null; then
     version=$(get_version_from_command "hipcc --version" "HIP version: ([0-9]+\.[0-9]+\.[0-9]+)")
     if [ -n "$version" ]; then ROCM_VERSION="yes (v$version)"; fi
   fi
@@ -205,7 +205,7 @@ ELPA_VERSION="no"
 if [ "${ENABLE_ELPA}" == "ON" ] && [ -n "$ELPA_DIR" ]; then
   ELPA_VERSION="yes (version unknown)"
   if [ -f "$ELPA_DIR/bin/elpa2_print_version" ]; then
-    version=$("$ELPA_DIR/bin/elpa2_print_version" 2>/dev/null)
+    version=$("$ELPA_DIR/bin/elpa2_print_version" 2> /dev/null)
     if [ -n "$version" ]; then ELPA_VERSION="yes ($version)"; fi
   else
     ELPA_VERSION="yes (path: $ELPA_DIR)"
@@ -258,8 +258,8 @@ fi
 # CUDA-aware MPI
 CUDA_AWARE_MPI="no"
 if [ "${USE_CUDA}" == "ON" ]; then
-  if command -v ompi_info >/dev/null; then
-    out=$(ompi_info --parsable --all 2>/dev/null)
+  if command -v ompi_info > /dev/null; then
+    out=$(ompi_info --parsable --all 2> /dev/null)
     if echo "$out" | grep -q "mpi_built_with_cuda_support:value:true"; then
       CUDA_AWARE_MPI="yes"
     else
@@ -304,6 +304,6 @@ sed \
   -e "s#@ABACUS_ASAN_STATUS@#${ENABLE_ASAN:-no}#g" \
   -e "s#@ABACUS_CMAKE_OPTIONS@#Not available with Makefile#g" \
   -e "s#@ABACUS_CMAKE_FIND_PACKAGES@#Not available with Makefile#g" \
-  "$INPUT_FILE" >"$OUTPUT_FILE"
+  "$INPUT_FILE" > "$OUTPUT_FILE"
 
 echo "Generated $OUTPUT_FILE successfully."

interfaces/ShengBTE_interface/01_pw/3rd/run_stru.sh

@@ -6,7 +6,7 @@ for i in STRU_*; do
   mkdir SCF-$stru
   cd SCF-$stru
   pwd
-  cat >INPUT <<EOF
+  cat > INPUT << EOF
 INPUT_PARAMETERS
 #Parameters (General)
 suffix          DIA-50-$stru
@@ -32,7 +32,7 @@ mixing_beta     0.7
 
 stru_file       STRU_$stru
 EOF
-  cat >KPT <<EOF
+  cat > KPT << EOF
 K_POINTS
 0
 Gamma

interfaces/ShengBTE_interface/02_lcao/3rd/run_stru.sh

@@ -6,7 +6,7 @@ for i in STRU_*; do
   mkdir SCF-$stru
   cd SCF-$stru
   pwd
-  cat >INPUT <<EOF
+  cat > INPUT << EOF
 INPUT_PARAMETERS
 #Parameters (General)
 suffix          DIA-50-$stru
@@ -33,7 +33,7 @@ mixing_beta     0.7
 
 stru_file       STRU_$stru
 EOF
-  cat >KPT <<EOF
+  cat > KPT << EOF
 K_POINTS
 0
 Gamma

source/CMakeLists.txt

@@ -172,9 +172,10 @@ if(USE_DSP)
     endif()
     list(APPEND _abacus_linalg_libs ${_abacus_cpack_library})
   else()
-    message(STATUS
-      "USE_DSP without MT_CPACK_DIR: C_PACK disabled, the serial generalized "
-      "eigensolver falls back to the configured LAPACK provider (zhegvx).")
+    message(
+      STATUS
+        "USE_DSP without MT_CPACK_DIR: C_PACK disabled, the serial generalized "
+        "eigensolver falls back to the configured LAPACK provider (zhegvx).")
   endif()
 endif()
 

source/source_base/CMakeLists.txt

@@ -90,20 +90,17 @@ endif()
 
 if(BUILD_TESTING)
   # TODO: classify the serial and parrallel tests
-  AddTest(
+  addtest(
     TARGET MODULE_BASE_block_cyclic_distribution
     LIBS parameter base device container
-    SOURCES test/test_block_cyclic_distribution.cpp
-  )
+    SOURCES test/test_block_cyclic_distribution.cpp)
   if(ENABLE_MPI)
     add_test(
       NAME MODULE_BASE_block_cyclic_distribution_mpi
       COMMAND
-        ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 4
-        ${MPIEXEC_PREFLAGS}
+        ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 4 ${MPIEXEC_PREFLAGS}
         $<TARGET_FILE:MODULE_BASE_block_cyclic_distribution>
-        ${MPIEXEC_POSTFLAGS}
-    )
+        ${MPIEXEC_POSTFLAGS})
     add_subdirectory(test)
     add_subdirectory(test_parallel)
     add_subdirectory(kernels/test)

source/source_base/test/CMakeLists.txt

@@ -277,8 +277,7 @@ if(ENABLE_GOOGLEBENCH)
     SOURCES perf_sphbes_test.cpp ../math_sphbes.cpp ../timer.cpp)
 endif()
 
-AddTest(
+addtest(
   TARGET MODULE_BASE_filename
   LIBS parameter base device
-  SOURCES test_filename.cpp
-)
+  SOURCES test_filename.cpp)

source/source_base/test_parallel/CMakeLists.txt

@@ -86,7 +86,7 @@ add_test(
   COMMAND mpirun -np 4 "$<TARGET_FILE:MODULE_BASE_para_gemm>"
   WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
 
-AddTest(
+addtest(
   TARGET MODULE_BASE_parallel_domain_grid
   SOURCES parallel_domain_grid_test.cpp ../test/mpi_test_main.cpp
   LIBS parameter MPI::MPI_CXX base device)

source/source_basis/module_ao/test/CMakeLists.txt

@@ -31,7 +31,7 @@ list(
   ../../../source_base/libm/sincos.cpp
   ../../../source_base/sph_bessel_tf.cpp
   ../../../source_base/cubic_spline.cpp
-    ../../../source_base/block_cyclic_distribution.cpp
+  ../../../source_base/block_cyclic_distribution.cpp
   ../orb_read.cpp
   ../orb_atomic.cpp
   ../orb_atomic_lm.cpp

source/source_basis/module_pw/test/test_gnu.sh

@@ -1,6 +1,6 @@
 #!/bin/bash
 
-make clean >/dev/null 2>&1
+make clean > /dev/null 2>&1
 
 for ((i = 0; i < 4; ++i)); do
 
@@ -27,17 +27,17 @@ for ((i = 0; i < 4; ++i)); do
     ./pw_test.exe
     sleep 1
     echo "3 processors:"
-    mpirun -np 3 ./pw_test.exe >_tmp.txt
+    mpirun -np 3 ./pw_test.exe > _tmp.txt
     cat _tmp.txt | grep PASSED
     cat _tmp.txt | grep FAILED
     sleep 1
     echo "5 processors:"
-    mpirun -np 5 ./pw_test.exe >_tmp.txt
+    mpirun -np 5 ./pw_test.exe > _tmp.txt
     cat _tmp.txt | grep PASSED
     cat _tmp.txt | grep FAILED
     sleep 1
     echo "8 processors:"
-    mpirun -np 8 ./pw_test.exe >_tmp.txt
+    mpirun -np 8 ./pw_test.exe > _tmp.txt
     cat _tmp.txt | grep PASSED
     cat _tmp.txt | grep FAILED
   fi

source/source_basis/module_pw/test/test_intel.sh

@@ -1,48 +1,48 @@
 #!/bin/bash
 
-make clean >/dev/null 2>&1
+make clean > /dev/null 2>&1
 
 for ((i = 0; i < 4; ++i)); do
 
   if ((i == 0)); then
-    make -j12 CXX=icpc >/dev/null
+    make -j12 CXX=icpc > /dev/null
     echo "Test for Serial Version:"
     ./pw_test.exe
 
   elif ((i == 1)); then
-    make -j12 CXX=icpc FLOAT=ON >/dev/null
+    make -j12 CXX=icpc FLOAT=ON > /dev/null
     echo "Test for Serial Version with single precision:"
     ./pw_test.exe
 
   elif ((i == 2)); then
-    make -j12 CXX=mpiicpc >/dev/null
+    make -j12 CXX=mpiicpc > /dev/null
     echo "Test for MPI Version:"
 
   elif ((i == 3)); then
-    make -j12 CXX=mpiicpc FLOAT=ON >/dev/null
+    make -j12 CXX=mpiicpc FLOAT=ON > /dev/null
     echo "Test for MPI Version with single precision:"
   fi
   if ((i >= 2)); then
     echo "1 processor:"
     ./pw_test.exe
     sleep 1
     echo "3 processors:"
-    mpirun -np 3 ./pw_test.exe >_tmp.txt
+    mpirun -np 3 ./pw_test.exe > _tmp.txt
     cat _tmp.txt | grep PASSED
     cat _tmp.txt | grep FAILED
     sleep 1
     echo "5 processors:"
-    mpirun -np 5 ./pw_test.exe >_tmp.txt
+    mpirun -np 5 ./pw_test.exe > _tmp.txt
     cat _tmp.txt | grep PASSED
     cat _tmp.txt | grep FAILED
     sleep 1
     echo "8 processors:"
-    mpirun -np 8 ./pw_test.exe >_tmp.txt
+    mpirun -np 8 ./pw_test.exe > _tmp.txt
     cat _tmp.txt | grep PASSED
     cat _tmp.txt | grep FAILED
   fi
 
-  make clean >/dev/null 2>&1
+  make clean > /dev/null 2>&1
 
 done