Merge branch '65-preparing-for-rc-2' into 'master'

Resolve "Preparing for rc-2"

Closes #65

See merge request chase/chase-library/ChASE!89

Author: brunowu

.gitignore

@@ -16,3 +16,14 @@ build
 *.out
 *.err
 /*install*/
+
+# Python cache
+__pycache__/
+*.pyc
+*.pyo
+
+# Temporary worktrees
+*_worktree/
+migrate_worktree/
+deploy_worktree/
+fix_worktree/

.gitlab-ci.yml

@@ -6,7 +6,7 @@ stages:
   - build
   - test
   - coverage
-  # - upload
+  - upload
 
 .default_source_changes: &only_source_changes
   rules:
@@ -32,7 +32,7 @@ build_cpu:
     - cmake --version
     - mkdir -p build_cpu
     - cd build_cpu
-    - env CFLAGS="$CFLAGS --coverage" CXXFLAGS="$CXXFLAGS --coverage" FFLAGS="$FFLAGS --coverage" cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_Fortran_COMPILER=mpifort -DCHASE_ENABLE_MIXED_PRECISION=ON -DENABLE_TESTS=ON -DMPI_RUN_ARGS="--allow-run-as-root" .. -DCMAKE_EXE_LINKER_FLAGS="-lgfortran -Wl,--copy-dt-needed-entries --coverage"
+    - env CFLAGS="$CFLAGS --coverage" CXXFLAGS="$CXXFLAGS --coverage" FFLAGS="$FFLAGS --coverage" cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_Fortran_COMPILER=mpifort -DCHASE_ENABLE_MIXED_PRECISION=ON -DCHASE_ENABLE_TESTS=ON -DMPI_RUN_ARGS="--allow-run-as-root" .. -DCMAKE_EXE_LINKER_FLAGS="-lgfortran -Wl,--copy-dt-needed-entries --coverage"
     - make VERBOSE=1 -j4
   artifacts:
     paths:
@@ -75,7 +75,7 @@ build_gpu:
     - cmake --version
     - mkdir -p build_gpu
     - cd build_gpu
-    - env CFLAGS="$CFLAGS --coverage" CXXFLAGS="$CXXFLAGS --coverage" FFLAGS="$FFLAGS --coverage" cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_Fortran_COMPILER=mpifort -DCHASE_ENABLE_MIXED_PRECISION=ON -DENABLE_TESTS=ON -DMPI_RUN="srun" .. -DCMAKE_EXE_LINKER_FLAGS="--coverage"
+    - env CFLAGS="$CFLAGS --coverage" CXXFLAGS="$CXXFLAGS --coverage" FFLAGS="$FFLAGS --coverage" cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_Fortran_COMPILER=mpifort -DCHASE_ENABLE_MIXED_PRECISION=ON -DCHASE_ENABLE_TESTS=ON -DMPI_RUN="srun" .. -DCMAKE_EXE_LINKER_FLAGS="--coverage"
     - make VERBOSE=1 -j8
   artifacts:
     paths:
@@ -109,7 +109,7 @@ test_gpu:
       - build_gpu/*
     expire_in: 1 week
 
-coverage:
+coverage_generate:
   stage: coverage
   coverage: '/lines......: (\d+[.]\d+)/'
   dependencies:
@@ -120,4 +120,67 @@ coverage:
   <<: *only_source_changes
   script:
     - lcov --capture --directory ./build_gpu --output-file coverage.info
-    - lcov --summary coverage.info
+
+    # Extract coverage number
+    - |
+      COV=$(lcov --summary coverage.info | grep -oP 'lines.*: \K\d+\.\d+')
+      echo "Total coverage = ${COV}%"
+
+    # Choose badge color
+    - |
+      if (( $(echo "$COV < 70" | bc -l) )); then COLOR=red
+      elif (( $(echo "$COV < 85" | bc -l) )); then COLOR=yellow
+      else COLOR=brightgreen
+      fi
+
+    # Create Shields-compatible JSON
+    - |
+      mkdir -p coverage
+      cat <<EOF > coverage/coverage.json
+      {
+        "schemaVersion": 1,
+        "label": "coverage (master)",
+        "message": "${COV}%",
+        "color": "${COLOR}"
+      }
+      EOF
+  artifacts:
+    paths:
+      - coverage/coverage.json
+    expire_in: 1 week
+
+coverage_upload:
+  stage: upload
+  dependencies:
+    - coverage_generate
+  tags:
+    - juwels_booster
+    - jacamar
+    - login
+    - shell
+  id_tokens:
+    SITE_ID_TOKEN:
+      aud: https://gitlab.jsc.fz-juelich.de
+  <<: *only_source_changes
+  script:
+    - set -e
+    - echo "Uploading coverage badge"
+
+    - git config --global user.name "ChASE Bot"
+    - git config --global user.email "chase@fz-juelich.de"
+
+    - git clone https://oauth2:${BADGE_PUSH_TOKEN}@gitlab.jsc.fz-juelich.de/wu7/chase-coverage-badges.git badge_repo
+    - cd badge_repo
+
+    - mkdir -p coverage
+    - cp ../coverage/coverage.json coverage/coverage.json
+
+    - git add coverage/coverage.json
+    - |
+      if git diff --cached --quiet; then
+        echo "Coverage unchanged, nothing to push"
+        exit 0
+      fi
+
+    - git commit -m "Update ChASE coverage badge"
+    - git push origin main

CMakeLists.txt

@@ -1,7 +1,7 @@
 # -*- Mode: cmake -*-
 cmake_minimum_required( VERSION 3.18 )
 
-project( ChASE LANGUAGES C CXX Fortran VERSION 1.6.1 )
+project( ChASE LANGUAGES C CXX Fortran VERSION 1.7.0 )
 set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_CURRENT_SOURCE_DIR}/cmake/modules")
 # ## algorithm ##
 
@@ -32,8 +32,12 @@ option(CHASE_SAVE_RESIDUALS "Print the residuals in an external file" OFF)
 option(CHASE_ENABLE_XGEEV_RAYLEIGHRITZ "Enable solving pseudo-hermitian problems with XGEEV cusolver" OFF)
 option(ChASE_DISPLAY_COND_V_SVD "Compute and display condition number of V from SVD" OFF)
 option(CHASE_QR_DOUBLE_PRECISION "Operate QR in Double Precision" ON)
-option(CHASE_PRINT_DEBUG "Print additional information for debugging purpose" OFF)
 option(CHASE_RR_DOUBLE_PRECISION "Operate HEEVD in RR for pseudo-hermitian matrices in Double Precision" OFF)
+option(CHASE_ENABLE_TESTS "Enable unit tests." OFF)
+
+if(NOT CMAKE_BUILD_TYPE STREQUAL "Release")
+    message(WARNING "For prodution, please consider CMAKE_BUILD_TYPE to be Release or RelWithDebInfo")
+endif()
 
 if( CHASE_OUTPUT )
   target_compile_definitions( chase_algorithm  INTERFACE "-DCHASE_OUTPUT" )
@@ -84,10 +88,6 @@ if(CHASE_SAVE_RESIDUALS)
     add_definitions(-DCHASE_SAVE_RESIDUALS)
 endif()
 
-if(CHASE_PRINT_DEBUG)
-    add_definitions(-DCHASE_PRINT_DEBUG)
-endif()
-
 add_subdirectory(external)
 add_subdirectory(grid)
 add_subdirectory(linalg)
@@ -106,70 +106,7 @@ add_executable( "chase_driver_gpu" tests/noinput.cpp )
 target_link_libraries(chase_driver_gpu chase_gpu)
 endif()
 
-#add_executable( "herm_chase_run_cpu" tests/dist_pseudo_noinput.cpp )
-#target_link_libraries("herm_chase_run_cpu" chase_cpu)
-
-#add_executable( "pseudo_chase_run_cpu" tests/dist_pseudo_noinput.cpp )
-#target_link_libraries("pseudo_chase_run_cpu" chase_cpu)
-#target_compile_definitions( "pseudo_chase_run_cpu" PRIVATE USE_PSEUDO_HERMITIAN=1)
-
-#if(TARGET chase_gpu)
-	#add_executable("herm_chase_run_gpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("herm_chase_run_gpu" chase_gpu)
-#target_compile_definitions("herm_chase_run_gpu" INTERFACE "-DHAS_CUDA")
-
-#add_executable("pseudo_chase_run_gpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("pseudo_chase_run_gpu" chase_gpu)
-#target_compile_definitions("pseudo_chase_run_gpu" PRIVATE USE_PSEUDO_HERMITIAN=1)
-#target_compile_definitions("pseudo_chase_run_gpu" INTERFACE "-DHAS_CUDA")
-#endif()
-
-#if(TARGET pchase_cpu)
-	#add_executable("herm_block_dist_chase_run_cpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("herm_block_dist_chase_run_cpu" pchase_cpu)
-#target_compile_definitions("herm_block_dist_chase_run_cpu" PRIVATE USE_MPI=1)
-
-#add_executable("pseudo_block_dist_chase_run_cpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("pseudo_block_dist_chase_run_cpu" pchase_cpu)
-#target_compile_definitions("pseudo_block_dist_chase_run_cpu" PRIVATE USE_PSEUDO_HERMITIAN=1)
-#target_compile_definitions("pseudo_block_dist_chase_run_cpu" PRIVATE USE_MPI=1)
-
-#add_executable("herm_cyclic_dist_chase_run_cpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("herm_cyclic_dist_chase_run_cpu" pchase_cpu)
-#target_compile_definitions("herm_cyclic_dist_chase_run_cpu" PRIVATE USE_BLOCKCYCLIC=1)
-#target_compile_definitions("herm_cyclic_dist_chase_run_cpu" PRIVATE USE_MPI=1)
-
-#add_executable("pseudo_cyclic_dist_chase_run_cpu" tests/dist_pseudo_noinput.cpp )
-#target_link_libraries("pseudo_cyclic_dist_chase_run_cpu" pchase_cpu)
-#target_compile_definitions("pseudo_cyclic_dist_chase_run_cpu" PRIVATE USE_BLOCKCYCLIC=1)
-#target_compile_definitions("pseudo_cyclic_dist_chase_run_cpu" PRIVATE USE_PSEUDO_HERMITIAN=1)
-#target_compile_definitions("pseudo_cyclic_dist_chase_run_cpu" PRIVATE USE_MPI=1)
-#endif()
-
-#if(TARGET pchase_gpu)
-	#add_executable("herm_block_dist_chase_run_gpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("herm_block_dist_chase_run_gpu" pchase_gpu)
-#target_compile_definitions("herm_block_dist_chase_run_gpu" INTERFACE "-DHAS_NCCL -DHAS_CUDA")
-
-#add_executable("pseudo_block_dist_chase_run_gpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("pseudo_block_dist_chase_run_gpu"  pchase_gpu)
-#target_compile_definitions("pseudo_block_dist_chase_run_gpu" PRIVATE USE_PSEUDO_HERMITIAN=1)
-#target_compile_definitions("pseudo_block_dist_chase_run_gpu" INTERFACE "-DHAS_NCCL -DHAS_CUDA")
-
-#add_executable("herm_cyclic_dist_chase_run_gpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("herm_cyclic_dist_chase_run_gpu" pchase_gpu)
-#target_compile_definitions("herm_cyclic_dist_chase_run_gpu" PRIVATE USE_BLOCKCYCLIC=1)
-#target_compile_definitions("herm_cyclic_dist_chase_run_gpu" INTERFACE "-DHAS_NCCL -DHAS_CUDA")
-
-#add_executable("pseudo_cyclic_dist_chase_run_gpu" tests/dist_pseudo_noinput.cpp)
-#target_link_libraries("pseudo_cyclic_dist_chase_run_gpu" pchase_gpu)
-#target_compile_definitions("pseudo_cyclic_dist_chase_run_gpu" PRIVATE USE_BLOCKCYCLIC=1)
-#target_compile_definitions("pseudo_cyclic_dist_chase_run_gpu" PRIVATE USE_PSEUDO_HERMITIAN=1)
-#target_compile_definitions("pseudo_cyclic_dist_chase_run_gpu" INTERFACE "-DHAS_NCCL" "-DHAS_CUDA")
-#endif()
-
-option(ENABLE_TESTS "Enable unit tests." OFF)
-if(ENABLE_TESTS)
+if(CHASE_ENABLE_TESTS)
     MESSAGE("Test enabled. Finding GoogleTests.")
     include(${CMAKE_SOURCE_DIR}/cmake/external/Gtest/FetchGtest.cmake)
     include(CTest)
@@ -186,39 +123,6 @@ if(CHASE_BUILD_WITH_DOCS)
     add_subdirectory("docs")
 endif()
 
-#get_target_property(interface_defs mpi_grid_nccl INTERFACE_COMPILE_DEFINITIONS)
-#message("INTERFACE_COMPILE_DEFINITIONS: ${interface_defs}")
-
-# List all dependencies (linked targets)
-#get_target_property(linked_libraries pchase_gpu INTERFACE_LINK_LIBRARIES)
-#message("linked_libraries: ${linked_libraries}")
-# Prepare a list to store definitions
-#set(all_inherited_defs "")
-
-#foreach(dep ${linked_libraries})
-    # Check if the dependency is a valid target
-#    if(TARGET ${dep})
-        # Get INTERFACE_COMPILE_DEFINITIONS from the dependency
-#        get_target_property(dep_defs ${dep} INTERFACE_COMPILE_DEFINITIONS)
-        
-        # Append to the list
-#        if(dep_defs)
-#            list(APPEND all_inherited_defs ${dep_defs})
-#        endif()
-#    endif()
-#endforeach()
-
-# Remove duplicates (optional)
-#list(REMOVE_DUPLICATES all_inherited_defs)
-
-# Print all inherited definitions
-#message("Inherited compile definitions: ${all_inherited_defs}")
-#get_target_property(linked_libraries blaspp INTERFACE_LINK_LIBRARIES)
-#message("Libraries linked by blaspp: ${linked_libraries}")
-#get_target_property(blas_library ${linked_libraries} IMPORTED_LOCATION)
-#message("BLAS library path: ${blas_library}")
-
-
 ##installation
 install( TARGETS chase_algorithm
   EXPORT chase_targets

Impl/chase_cpu/CMakeLists.txt

@@ -7,7 +7,8 @@ target_include_directories(chase_cpu INTERFACE
                                                $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}>
                                                "$<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}/Impl/chase_cpu>")
 
-target_compile_definitions(chase_cpu INTERFACE NO_MPI=1)
+# NO_MPI is not defined here to avoid conflicts when chase_c links to both serial and parallel targets
+# The interface layer (chase_c) will handle NO_MPI definition based on actual usage
 
 install(TARGETS chase_cpu
   EXPORT chase_targets