Merge branch 'develop' into developAnna

.clang-format

@@ -4,7 +4,7 @@ Language:        Cpp
 AccessModifierOffset: -4
 AlignAfterOpenBracket: Align
 AlignConsecutiveMacros: false
-AlignConsecutiveAssignments: true
+AlignConsecutiveAssignments: false
 AlignConsecutiveDeclarations: false
 AlignEscapedNewlines: Right
 AlignOperands:   true
@@ -14,7 +14,7 @@ AllowAllConstructorInitializersOnNextLine: true
 AllowAllParametersOfDeclarationOnNextLine: true
 AllowShortBlocksOnASingleLine: Never
 AllowShortCaseLabelsOnASingleLine: false
-AllowShortFunctionsOnASingleLine: All
+AllowShortFunctionsOnASingleLine: None
 AllowShortLambdasOnASingleLine: All
 AllowShortIfStatementsOnASingleLine: Never
 AllowShortLoopsOnASingleLine: false

.cmake-format.yaml

+parse:
+  additional_commands:
+    foo:
+      flags:
+      - BAR
+      - BAZ
+      kwargs:
+        HEADERS: '*'
+        SOURCES: '*'
+        DEPENDS: '*'
+  override_spec: {}
+  _help_vartags:
+  vartags: []
+  proptags: []
+
+format:
+  disable: false
+  line_width: 120
+  tab_size: 4
+  use_tabchars: false
+  fractional_tab_policy: use-space
+  max_subgroups_hwrap: 2
+  max_pargs_hwrap: 6
+  max_rows_cmdline: 2
+  separate_ctrl_name_with_space: false
+  separate_fn_name_with_space: false
+  dangle_parens: false
+  dangle_align: prefix
+  min_prefix_chars: 4
+  max_prefix_chars: 10
+  max_lines_hwrap: 2
+  line_ending: unix
+  command_case: canonical
+  keyword_case: unchanged
+  always_wrap: []
+  enable_sort: true
+  autosort: false
+  require_valid_layout: false
+  layout_passes: {}
+
+markup:
+  bullet_char: '*'
+  enum_char: .
+  first_comment_is_literal: false
+  literal_comment_pattern: null
+  fence_pattern: ^\s*([`~]{3}[`~]*)(.*)$
+  ruler_pattern: ^\s*[^\w\s]{3}.*[^\w\s]{3}$
+  explicit_trailing_pattern: '#<'
+  hashruler_min_length: 10
+  canonicalize_hashrulers: true
+  enable_markup: true
+
+lint:
+  disabled_codes: []
+  function_pattern: '[0-9a-z_]+'
+  macro_pattern: '[0-9A-Z_]+'
+  global_var_pattern: '[A-Z][0-9A-Z_]+'
+  internal_var_pattern: _[A-Z][0-9A-Z_]+
+  local_var_pattern: '[a-z][a-z0-9_]+'
+  private_var_pattern: _[0-9a-z_]+
+  public_var_pattern: '[A-Z][0-9A-Z_]+'
+  argument_var_pattern: '[a-z][a-z0-9_]+'
+  keyword_pattern: '[A-Z][0-9A-Z_]+'
+  max_conditionals_custom_parser: 2
+  min_statement_spacing: 1
+  max_statement_spacing: 2
+  max_returns: 6
+  max_branches: 12
+  max_arguments: 5
+  max_localvars: 15
+  max_statements: 50
+
+encode:
+  emit_byteorder_mark: false
+  input_encoding: utf-8
+  output_encoding: utf-8
\ No newline at end of file

.devcontainer/devcontainer.json

@@ -11,10 +11,5 @@
         "streetsidesoftware.code-spell-checker"
     ],
     "runArgs": ["--gpus","all"],
-    "image": "git.rz.tu-bs.de:4567/irmb/virtualfluids/ubuntu20_04:1.2",
-    "containerEnv": {"HOME": "/workspaces/"},
-    "mounts": [
-        "source=/mnt/d/output,target=/${containerWorkspaceFolder}/output,type=bind", 
-        "source=${localEnv:HOME}/STLs,target=${containerWorkspaceFolder}/stl,type=bind"    
-    ]
-}
+    "image": "git.rz.tu-bs.de:4567/irmb/virtualfluids/ubuntu20_04:1.2"
+}
\ No newline at end of file

.gitignore

@@ -19,6 +19,13 @@ __pycache__/
 
 # simulation results
 output/
+logs/
+
+# Input files
+stl/
+
+# Scripts
+scripts/
 
 # scripts
 scripts/

.gitlab-ci.yml

 ###############################################################################
 ##                       VirtualFluids CI Pipeline                           ##
 ###############################################################################
-image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
+image: git.rz.tu-bs.de:4567/irmb/virtualfluids/ubuntu20_04:1.3
 
 stages:
   - build
@@ -20,8 +20,6 @@ stages:
 .gnu_build_template:
   stage: build
 
-  image: irmb/virtualfluids-deps-ubuntu20.04
-
   tags:
     - gpu
     - linux
@@ -51,7 +49,7 @@ stages:
     - cd $CI_PROJECT_DIR/$BUILD_FOLDER
     - rm -r -f ./*
     - cmake .. -LAH
-      --preset=all_make_ccache
+      --preset=all_make
       -DBUILD_WARNINGS_AS_ERRORS=ON
       -DCMAKE_CUDA_ARCHITECTURES=60
     - make -j4
@@ -121,8 +119,6 @@ msvc_16:
 gcc_9_python:
   stage: build_python
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
   needs: ["gcc_9"]
 
   cache:
@@ -149,8 +145,6 @@ gcc_9_python:
 build_singularity_image:
   stage: container_upload
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
   needs:
     - gcc_9_python
 
@@ -171,8 +165,6 @@ build_singularity_image:
 gcc_9_unit_tests:
   stage: test
 
-  image: irmb/virtualfluids-deps-ubuntu20.04:latest
-
   needs: ["gcc_9"]
 
   before_script:
@@ -203,8 +195,6 @@ msvc_16_unit_tests:
 gcc_9_python_bindings_test:
   stage: test
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
   needs: ["gcc_9_python"]
 
   before_script:
@@ -220,8 +210,6 @@ gcc_9_python_bindings_test:
 gcc_9_python_slurm_test:
   stage: test
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
   needs: ["gcc_9_python"]
 
   rules:
@@ -281,8 +269,6 @@ nvidia_test:
 gpu_numerical_tests:
   stage: benchmark
 
-  image: irmb/virtualfluids-deps-ubuntu20.04
-
   when: manual
 
   needs: []
@@ -301,7 +287,7 @@ gpu_numerical_tests:
     - cd $CI_PROJECT_DIR/build
     - rm -r -f ./*
     - cmake ..
-      --preset=gpu_numerical_tests_ccache_make
+      --preset=gpu_numerical_tests_make
       -DCMAKE_CUDA_ARCHITECTURES=60
       -DPATH_NUMERICAL_TESTS=/tmp/test_data/numerical_tests_gpu
     - make -j4
@@ -328,8 +314,6 @@ gpu_numerical_tests:
 clang_build_analyzer_clang_10:
   stage: analyze
 
-  image: irmb/virtualfluids-deps-ubuntu20.04
-
   only: ["schedules"]
 
   needs: []
@@ -362,8 +346,6 @@ clang_build_analyzer_clang_10:
 include_what_you_use_clang_10:
   stage: analyze
 
-  image: irmb/virtualfluids-deps-ubuntu20.04
-
   only: ["schedules"]
 
   needs: []
@@ -391,24 +373,28 @@ include_what_you_use_clang_10:
     - make
 
 ###############################################################################
+.analyze_template:
+
+  rules: # dont create MR pipeline, run always on irmb/develop and manual in all other cases
+    - if: $CI_PIPELINE_SOURCE == "merge_request_event"
+      when: never
+    - if: '$CI_PROJECT_NAMESPACE == "irmb" && $CI_COMMIT_BRANCH == "develop"'
+      when: always
+    - when: manual
+      allow_failure: true
+
 cppcheck:
   stage: analyze
 
-  image: irmb/virtualfluids-deps-ubuntu20.04
-
-  only:
-    - develop@irmb/VirtualFluids_dev
+  extends: .analyze_template
 
   needs: []
 
   before_script:
-    - export DEBIAN_FRONTEND=noninteractive
-    - apt-get update
-    - apt-get install -y cppcheck
+    - cppcheck --version
 
   script:
     - cd $CI_PROJECT_DIR
-    - cppcheck --version
     - cppcheck src --enable=all --xml 2> cppcheck.xml
 
   artifacts:
@@ -422,10 +408,7 @@ cppcheck:
 lizard:
   stage: analyze
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
-  only:
-    - develop@irmb/VirtualFluids_dev
+  extends: .analyze_template
 
   needs: []
 
@@ -450,17 +433,11 @@ lizard:
 gcov_gcc_9:
   stage: analyze
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
-  only:
-    - develop@irmb/VirtualFluids_dev
+  extends: .analyze_template
 
   needs: []
 
   before_script:
-    - export DEBIAN_FRONTEND=noninteractive
-    - apt-get update
-    - pip3 install gcovr
     - gcovr --version
 
   script:
@@ -496,10 +473,7 @@ gcov_gcc_9:
 clang-tidy:
   stage: analyze
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
-  only:
-    - develop@irmb/VirtualFluids_dev
+  extends: .analyze_template
 
   needs: []
 
@@ -512,7 +486,6 @@ clang-tidy:
     - mkdir -p $CI_PROJECT_DIR/build
     - cd $CI_PROJECT_DIR/build
     - cmake ..
-      -DCMAKE_EXPORT_COMPILE_COMMANDS=ON
       -DBUILD_VF_CPU=ON
       -DBUILD_VF_GPU=OFF
     - python3 ../utilities/filterCompileCommands.py compile_commands.json
@@ -555,7 +528,7 @@ pages:
 .deploy_template:
   stage: deploy
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
+
 
   before_script:
     - 'command -v ssh-agent >/dev/null || ( apt-get update -y && apt-get install openssh-client -y )'
@@ -618,8 +591,6 @@ vf_wheel_to_jupyterhub:
 sonar-scanner:
   stage: deploy
 
-  image: irmb/virtualfluids-python-deps-ubuntu20.04:latest
-
   tags:
     - linux
 

AUTHORS.md

 # AUTHORS
 VF has been developed essentially over the last fifteen years by various researchers at IRMB including (in alphabetical order):
 
+
+Damilola Adekanye, M.Sc.
 Dr. Benjamin Ahrenholz
-M. Sc. Hussein Alihussein
+Dr. Hussein Alihussein
 Dr. Sebastian Bindick
-B. Sc. Aileen Brendel
+Aileen Brendel, B.Sc.
 J.Prof. Dr. Martin Geier
 Dr. Sebastian Geller
 Dr. Ehsan Goraki Fard
 Dr. Jan Hegewald
 Dr. Christian Janßen
-M. Sc. Konstantin Kutscher
-M. Sc. Stephan Lenz
+Prof. Dr.-Ing. habil. Manfred Krafczyk
+Dr. Konstantin Kutscher
+Dr. Stephan Lenz
 Dr. Jan Linxweiler
-B. Sc. Lennard Lux
-B. Sc. Sven Marcus
-M. Sc. Sören Peters
+Lennard Lux, B.Sc.
+Sören Peters, M.Sc.
+Sven Marcus, M.Sc.
 Dr. Hesameddin Safari
 Dr. Martin Schönherr
 Dipl.-Ing. Maik Stiebler
 Dr. Sören Textor (aka Freudiger)
 PD Dr. Jonas Tölke
 Dr. Sonja Uphoff
-B. Sc. Anna Wellmann
+Anna Wellmann, M.Sc.
\ No newline at end of file

CMake/3rd/vtk.cmake

@@ -3,9 +3,8 @@
 # VTK_DIR needs to bet set to the VTK build directory in the config file.
 #########################################################################
 find_package(VTK REQUIRED)
-    vf_get_library_name(library_name)
+vf_get_library_name(library_name)
 
-    include(${VTK_USE_FILE})
-    target_include_directories(${library_name} PRIVATE ${VTK_INCLUDE_DIRS})
+target_include_directories(${library_name} PRIVATE ${VTK_INCLUDE_DIRS})
 
-    target_link_libraries(${library_name} PRIVATE ${VTK_LIBRARIES})
+target_link_libraries(${library_name} PRIVATE ${VTK_LIBRARIES})

CMake/Cache.cmake

+option(ENABLE_CACHE "Enable cache if available" ON)
+if(NOT ENABLE_CACHE)
+  return()
+endif()
+
+set(CACHE_OPTION
+    "ccache"
+    CACHE STRING "Compiler cache to be used")
+set(CACHE_OPTION_VALUES "ccache" "sccache")
+set_property(CACHE CACHE_OPTION PROPERTY STRINGS ${CACHE_OPTION_VALUES})
+list(
+  FIND
+  CACHE_OPTION_VALUES
+  ${CACHE_OPTION}
+  CACHE_OPTION_INDEX)
+
+if(${CACHE_OPTION_INDEX} EQUAL -1)
+  message(
+    STATUS
+      "Using custom compiler cache system: '${CACHE_OPTION}', explicitly supported entries are ${CACHE_OPTION_VALUES}")
+endif()
+
+find_program(CACHE_BINARY ${CACHE_OPTION})
+if(CACHE_BINARY)
+  message(STATUS "${CACHE_OPTION} found and enabled")
+  set(CMAKE_CXX_COMPILER_LAUNCHER ${CACHE_BINARY})
+  set(CMAKE_CUDA_COMPILER_LAUNCHER ${CACHE_BINARY})
+  set(CMAKE_C_COMPILER_LAUNCHER ${CACHE_BINARY})
+else()
+  message(STATUS "${CACHE_OPTION} is enabled but was not found. Not using it")
+endif()

CMake/CompilerWarnings.cmake

+# from here:
+#
+# https://github.com/lefticus/cppbestpractices/blob/master/02-Use_the_Tools_Available.md
+
+function(set_project_warnings project_name)
+
+  set(MSVC_WARNINGS
+      /W4 # Baseline reasonable warnings
+      /w14242 # 'identifier': conversion from 'type1' to 'type1', possible loss of data
+      /w14254 # 'operator': conversion from 'type1:field_bits' to 'type2:field_bits', possible loss of data
+      /w14263 # 'function': member function does not override any base class virtual member function
+      /w14265 # 'classname': class has virtual functions, but destructor is not virtual instances of this class may not
+              # be destructed correctly
+      /w14287 # 'operator': unsigned/negative constant mismatch
+      /we4289 # nonstandard extension used: 'variable': loop control variable declared in the for-loop is used outside
+              # the for-loop scope
+      /w14296 # 'operator': expression is always 'boolean_value'
+      /w14311 # 'variable': pointer truncation from 'type1' to 'type2'
+      /w14545 # expression before comma evaluates to a function which is missing an argument list
+      /w14546 # function call before comma missing argument list
+      /w14547 # 'operator': operator before comma has no effect; expected operator with side-effect
+      /w14549 # 'operator': operator before comma has no effect; did you intend 'operator'?
+      /w14555 # expression has no effect; expected expression with side- effect
+      /w14619 # pragma warning: there is no warning number 'number'
+      /w14640 # Enable warning on thread un-safe static member initialization
+      /w14826 # Conversion from 'type1' to 'type_2' is sign-extended. This may cause unexpected runtime behavior.
+      /w14905 # wide string literal cast to 'LPSTR'
+      /w14906 # string literal cast to 'LPWSTR'
+      /w14928 # illegal copy-initialization; more than one user-defined conversion has been implicitly applied
+      /permissive- # standards conformance mode for MSVC compiler.
+  )
+
+  set(CLANG_WARNINGS
+      -Wall
+      -Wextra # reasonable and standard
+      -Wshadow # warn the user if a variable declaration shadows one from a parent context
+      -Wnon-virtual-dtor # warn the user if a class with virtual functions has a non-virtual destructor. This helps
+                         # catch hard to track down memory errors
+      -Wold-style-cast # warn for c-style casts
+      -Wcast-align # warn for potential performance problem casts
+      -Wunused # warn on anything being unused
+      -Woverloaded-virtual # warn if you overload (not override) a virtual function
+      -Wpedantic # warn if non-standard C++ is used
+      -Wconversion # warn on type conversions that may lose data
+      -Wsign-conversion # warn on sign conversions
+      -Wnull-dereference # warn if a null dereference is detected
+      -Wdouble-promotion # warn if float is implicit promoted to double
+      -Wformat=2 # warn on security issues around functions that format output (ie printf)
+  )
+
+  if(BUILD_WARNINGS_AS_ERRORS)
+    set(CLANG_WARNINGS ${CLANG_WARNINGS} -Werror)
+    set(MSVC_WARNINGS ${MSVC_WARNINGS} /WX)
+  endif()
+
+  set(GCC_WARNINGS
+      ${CLANG_WARNINGS}
+      -Wmisleading-indentation # warn if indentation implies blocks where blocks do not exist
+      -Wduplicated-cond # warn if if / else chain has duplicated conditions
+      -Wduplicated-branches # warn if if / else branches have duplicated code
+      -Wlogical-op # warn about logical operations being used where bitwise were probably wanted
+      -Wuseless-cast # warn if you perform a cast to the same type
+  )
+
+  if(MSVC)
+    set(PROJECT_WARNINGS ${MSVC_WARNINGS})
+  elseif(CMAKE_CXX_COMPILER_ID MATCHES ".*Clang")
+    set(PROJECT_WARNINGS ${CLANG_WARNINGS})
+  elseif(CMAKE_CXX_COMPILER_ID STREQUAL "GNU")
+    set(PROJECT_WARNINGS ${GCC_WARNINGS})
+  else()
+    message(AUTHOR_WARNING "No compiler warnings set for '${CMAKE_CXX_COMPILER_ID}' compiler.")
+  endif()
+
+  target_compile_options(${project_name} INTERFACE ${PROJECT_WARNINGS})
+
+endfunction()

CMake/Sanitizers.cmake

+function(enable_sanitizers project_name)
+
+  if(CMAKE_CXX_COMPILER_ID STREQUAL "GNU" OR CMAKE_CXX_COMPILER_ID MATCHES ".*Clang")
+
+    set(SANITIZERS "")
+
+    option(ENABLE_SANITIZER_ADDRESS "Enable address sanitizer" FALSE)
+    if(ENABLE_SANITIZER_ADDRESS)
+      list(APPEND SANITIZERS "address")
+    endif()
+
+    option(ENABLE_SANITIZER_LEAK "Enable leak sanitizer" FALSE)
+    if(ENABLE_SANITIZER_LEAK)
+      list(APPEND SANITIZERS "leak")
+    endif()
+
+    option(ENABLE_SANITIZER_UNDEFINED_BEHAVIOR "Enable undefined behavior sanitizer" FALSE)
+    if(ENABLE_SANITIZER_UNDEFINED_BEHAVIOR)
+      list(APPEND SANITIZERS "undefined")
+    endif()
+
+    option(ENABLE_SANITIZER_THREAD "Enable thread sanitizer" FALSE)
+    if(ENABLE_SANITIZER_THREAD)
+      if("address" IN_LIST SANITIZERS OR "leak" IN_LIST SANITIZERS)
+        message(WARNING "Thread sanitizer does not work with Address and Leak sanitizer enabled")
+      else()
+        list(APPEND SANITIZERS "thread")
+      endif()
+    endif()
+
+    option(ENABLE_SANITIZER_MEMORY "Enable memory sanitizer" FALSE)
+    if(ENABLE_SANITIZER_MEMORY AND CMAKE_CXX_COMPILER_ID MATCHES ".*Clang")
+      if("address" IN_LIST SANITIZERS
+         OR "thread" IN_LIST SANITIZERS
+         OR "leak" IN_LIST SANITIZERS)
+        message(WARNING "Memory sanitizer does not work with Address, Thread and Leak sanitizer enabled")
+      else()
+        list(APPEND SANITIZERS "memory")
+      endif()
+    endif()
+
+    list(
+      JOIN
+      SANITIZERS
+      ","
+      LIST_OF_SANITIZERS)
+
+  endif()
+
+  if(LIST_OF_SANITIZERS)
+    if(NOT
+       "${LIST_OF_SANITIZERS}"
+       STREQUAL
+       "")
+      target_compile_options(${project_name} INTERFACE -fsanitize=${LIST_OF_SANITIZERS})
+      target_link_options(${project_name} INTERFACE -fsanitize=${LIST_OF_SANITIZERS})
+    endif()
+  endif()
+
+endfunction()

CMake/VirtualFluidsMacros.cmake

@@ -21,6 +21,7 @@ endfunction()
 include(${VF_CMAKE_DIR}/CMakeSetCompilerFlags.cmake)
 include(${VF_CMAKE_DIR}/FileUtilities.cmake)
 include(${VF_CMAKE_DIR}/3rd.cmake)
+include(${VF_CMAKE_DIR}/Sanitizers.cmake)
 
 ###############################################################################################################
 # Reset the compiler and linker flags
@@ -152,6 +153,9 @@ function(vf_add_library)
             ARCHIVE_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib"
             PDB_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/bin")
 
+    # sanitizers
+    enable_sanitizers(${library_name})
+
     # link time optimization
     if(BUILD_VF_LTO)
         if(NOT ${ARG_BUILDTYPE} MATCHES binary)

CMake/cmake_config_files/GITLAB-RUNNER03.config.cmake

+#################################################################################
+# VirtualFluids MACHINE FILE
+# Responsible: Soeren Peters
+# OS:          Windows 10
+#################################################################################
+
+
+#SET(PATH_NUMERICAL_TESTS "E:/temp/numericalTests/")
+#LIST(APPEND VF_COMPILER_DEFINITION "PATH_NUMERICAL_TESTS=${PATH_NUMERICAL_TESTS}")
+SET(CMAKE_CUDA_ARCHITECTURES 61)
\ No newline at end of file

CMakeLists.txt

@@ -6,13 +6,13 @@
 # |___/_/_/   \__/\__,_/\__,_/_/_/   /_/\__,_/_/\__,_/____/
 #
 #################################################################################
-#  required cmake versions
-#  CMAKE 3.13: target_link_options
-#  CMAKE 3.15: CMAKE_MSVC_RUNTIME_LIBRARY
-#################################################################################
 cmake_minimum_required(VERSION 3.15..3.20 FATAL_ERROR)
 
-project(VirtualFluids CXX)
+project(VirtualFluids
+        VERSION 1.0.0
+        DESCRIPTION "CFD code based on the Lattice Boltzmann Method"
+        HOMEPAGE_URL "https://www.tu-braunschweig.de/irmb/forschung/virtualfluids"
+        LANGUAGES CXX)
 
 if(NOT CMAKE_BUILD_TYPE)
     set(CMAKE_BUILD_TYPE Release)
@@ -22,6 +22,8 @@ message(STATUS "CMAKE_BUILD_TYPE: ${CMAKE_BUILD_TYPE}")
 set(CMAKE_CXX_STANDARD 17)
 set(CMAKE_CXX_STANDARD_REQUIRED ON)
 
+set(CMAKE_EXPORT_COMPILE_COMMANDS ON)
+
 set_property(GLOBAL PROPERTY USE_FOLDERS ON)
 set_property(GLOBAL PROPERTY PREDEFINED_TARGETS_FOLDER ".cmake")
 set(libraryFolder "libs")
@@ -34,6 +36,11 @@ set (VF_THIRD_DIR ${CMAKE_CURRENT_SOURCE_DIR}/3rdParty)
 set (VF_SRC_DIR   ${CMAKE_CURRENT_SOURCE_DIR}/src)
 set (VF_ROOT_DIR  ${CMAKE_CURRENT_SOURCE_DIR})
 
+if (${CMAKE_SOURCE_DIR} STREQUAL ${CMAKE_BINARY_DIR})
+  message(FATAL_ERROR "In-source builds are prohibited. "
+    "Create a new directory and build there.")
+endif ()
+
 #################################################################################
 #  OPTIONS
 #################################################################################
@@ -41,10 +48,10 @@ option(BUILD_VF_CPU "Build VirtualFluids cpu variant" OFF)
 option(BUILD_VF_GPU "Build VirtualFluids gpu variant" OFF)
 
 option(BUILD_USE_OPENMP "Build VirtualFluids with openmp" ON)
-
+option(BUILD_USE_BOOST "Build VirtualFluids with boost" OFF)
+option(BUILD_USE_MPI "include MPI library support" ON)
 
 # vf gpu
-option(BUILD_VF_GPU          "Build VirtualFluids GPU"     ON )
 option(BUILD_VF_GKS          "Build VirtualFluids GKS"     OFF )
 option(BUILD_VF_TRAFFIC      "Build VirtualFluids Traffic" OFF)
 option(BUILD_JSONCPP         "Builds json cpp "            OFF)
@@ -76,6 +83,15 @@ option(BUILD_VF_DOUBLE_ACCURACY "Use double accuracy" OFF)
 #################################################################################
 #  MACROS
 #################################################################################
+add_library(project_warnings INTERFACE)
+
+# standard compiler warnings - Link this 'library' to use the warnings specified in CompilerWarnings.cmake
+include(${VF_CMAKE_DIR}/CompilerWarnings.cmake)
+set_project_warnings(project_warnings)
+
+# enable cache system
+include(${VF_CMAKE_DIR}/Cache.cmake)
+
 include(CMakePrintHelpers)
 include(${VF_CMAKE_DIR}/VirtualFluidsMacros.cmake)
 
@@ -83,7 +99,8 @@ IF( BUILD_VF_DOUBLE_ACCURACY )
     list(APPEND VF_COMPILER_DEFINITION VF_DOUBLE_ACCURACY)
 ENDIF()
 
-if(BUILD_VF_GPU)
+# set gpu features
+if(BUILD_VF_GPU OR BUILD_VF_GKS)
     include(CheckLanguage)
     check_language(CUDA)
 
@@ -119,12 +136,28 @@ if(BUILD_VF_GPU)
 
     message(STATUS "CMAKE_CUDA_FLAGS: ${CMAKE_CUDA_FLAGS}")
     message(STATUS "CUDA Architecture: ${CMAKE_CUDA_ARCHITECTURES}")
+    set(CMAKE_CUDA_ARCHITECTURES "${CMAKE_CUDA_ARCHITECTURES}" CACHE STRING "Cuda Architecture (compute capabilitiy)")
 endif()
 
 
 #################################################################################
 #  COMMON LIBRARIES
 #################################################################################
+include(FetchContent)
+
+set(spdlog_version "v1.9.1")
+set(spdlog_url "https://github.com/gabime/spdlog")
+message(STATUS "Fetching spdlog: ${spdlog_version}")
+FetchContent_Declare(
+        spdlog
+        GIT_REPOSITORY ${spdlog_url}
+        GIT_TAG        ${spdlog_version}
+)
+
+FetchContent_MakeAvailable(spdlog)
+target_compile_options(spdlog PRIVATE "-fPIC")
+groupTarget(spdlog ${thirdFolder})
+
 if(BUILD_VF_UNIT_TESTS)
     add_subdirectory(${VF_THIRD_DIR}/googletest)
     include(GoogleTest)
@@ -135,10 +168,29 @@ if(BUILD_USE_OPENMP)
     find_package(OpenMP REQUIRED)
 endif()
 
-find_package(MPI REQUIRED)
+if(BUILD_USE_MPI)
+    find_package(MPI REQUIRED)
+    if(BUILD_VF_CPU)
+        list(APPEND VF_COMPILER_DEFINITION VF_MPI)
+    endif()
+endif()
 
+# boost
+IF(BUILD_USE_BOOST)
+    list(APPEND VF_COMPILER_DEFINITION BUILD_USE_BOOST)
 
+    set(Boost_USE_STATIC_LIBS ON)
+    set(Boost_USE_MULTITHREADED ON)
+    set(Boost_USE_STATIC_RUNTIME ON)
+
+    # minimum boost version: 1.60
+    # no packages specfied - only headeronly libraries
+    find_package(Boost 1.60 REQUIRED)
+ENDIF()
+
+add_subdirectory(src/logger)
 add_subdirectory(src/basics)
+add_subdirectory(src/mpi)
 add_subdirectory(src/lbm)
 
 
@@ -148,6 +200,12 @@ add_subdirectory(src/lbm)
 if (BUILD_VF_CPU)
     include (cpu.cmake)
 endif()
-if(BUILD_VF_GPU)
+if(BUILD_VF_GPU OR BUILD_VF_GKS)
+    add_subdirectory(src/cuda)
     include (gpu.cmake)
-endif()
+endif()
\ No newline at end of file
+
+if (BUILD_VF_PYTHON_BINDINGS)
+    add_subdirectory(${VF_THIRD_DIR}/pybind11/pybind11-2.6.0)
+    add_subdirectory(pythonbindings)
+endif()

CMakePresets.json

@@ -2,7 +2,7 @@
     "version": 2,
     "cmakeMinimumRequired": {
         "major": 3,
-        "minor": 19,
+        "minor": 20,
         "patch": 0
     },
     "configurePresets": [
@@ -20,16 +20,6 @@
             "hidden": true,
             "generator": "Unix Makefiles"
         },
-        {
-            "name": "default_ccache_make",
-            "inherits": "default_make",
-            "hidden": true,
-            "cacheVariables": {
-                "CMAKE_CXX_COMPILER_LAUNCHER": "ccache",
-                "CMAKE_CUDA_COMPILER_LAUNCHER": "ccache",
-                "CMAKE_C_COMPILER_LAUNCHER": "ccache"
-            }
-        },
         {
             "name": "default_msvc",
             "inherits": "default",
@@ -87,14 +77,6 @@
             ],
             "displayName": "cpu make configuration"
         },
-        {
-            "name": "cpu_make_ccache",
-            "inherits": [
-                "default_ccache_make",
-                "default_cpu"
-            ],
-            "displayName": "cpu ccache make configuration"
-        },
         {
             "name": "cpu_msvc",
             "inherits": [
@@ -111,14 +93,6 @@
             ],
             "displayName": "gpu make configuration"
         },
-        {
-            "name": "gpu_make_ccache",
-            "inherits": [
-                "default_ccache_make",
-                "default_gpu"
-            ],
-            "displayName": "gpu ccache make configuration"
-        },
         {
             "name": "gpu_msvc",
             "inherits": [
@@ -135,14 +109,6 @@
             ],
             "displayName": "all make configuration"
         },
-        {
-            "name": "all_make_ccache",
-            "inherits": [
-                "default_ccache_make",
-                "default_all"
-            ],
-            "displayName": "all ccache make configuration"
-        },
         {
             "name": "all_msvc",
             "inherits": [
@@ -159,14 +125,6 @@
             ],
             "displayName": "gpu numerical tests make configuration"
         },
-        {
-            "name": "gpu_numerical_tests_ccache_make",
-            "inherits": [
-                "default_ccache_make",
-                "default_gpu_numerical_tests"
-            ],
-            "displayName": "gpu numerical tests ccache make configuration"
-        },
         {
             "name": "gpu_numerical_tests_msvc",
             "inherits": [

CONTRIBUTING.md

@@ -15,7 +15,7 @@ To contribute use a merge request as follows:
 - Run the tests.
 - Write or adapt tests as needed.
 - Add or change the documentation as needed.
-- Push your branch to your fork on gitea, the remote `origin`.
+- Push your branch to your fork on gitlab, the remote `origin`.
 - From your fork open a merge request in the correct branch. Target the project's `develop` or `open_source` branch
 - …
 - If we requests further changes just push them to your branch. The MR will be updated automatically.

Containers/dockerfiles/Ubuntu20_04.Dockerfile

+# VirtualFluids BuildDependencies:
+# Ubuntu 20.04
+# general tools: wget, unzip, git
+# CMake 3.22.3
+# ccache
+# gcc 9.3 (default)
+# gdb
+# openmpi 4.0.3
+# openmp
+# cuda 11.3.1 as base image
+# freeGLUT
+# cppcheck
+# clang 10.0 (default)
+# python pip3 with modules: setuptools, wheels, scikit-build, pyvista, numpy, ansible, gcovr
+
+FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
+
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update &&   \
+    apt-get install -y  \
+    wget unzip git      \
+    build-essential gdb \
+    ccache              \
+    ninja-build         \
+    openmpi-bin=4.0.3-0ubuntu1 \
+    libomp-dev          \
+    clang               \
+    clang-format        \
+    clang-tidy          \
+    clang-tools         \
+    llvm-dev            \
+    libclang-dev        \
+    python3-pip         \
+    freeglut3-dev       \
+    cppcheck            \
+    && mkdir -p /usr/local/cmake/ && cd /usr/local/cmake/ \
+    && version=3.22 && build=3 \
+    && wget https://cmake.org/files/v$version/cmake-$version.$build-linux-x86_64.tar.gz \
+    && tar -xzvf cmake-$version.$build-linux-x86_64.tar.gz                              \
+    && ln -s /usr/local/cmake/cmake-$version.$build-linux-x86_64/bin/* /usr/local/bin/  \
+    && pip3 install      \
+        setuptools       \
+        wheel            \
+        scikit-build     \
+        pyvista          \
+        numpy            \
+        ansible          \
+        'jinja2<3.1' gcovr==5.0

Python/SlurmTests/poiseuille/settings.py

 import os
 from acousticscaling import OneDirectionalAcousticScaling
-from pyfluids.kernel import LBMKernel, KernelType
-from pyfluids.parameters import RuntimeParameters, GridParameters, PhysicalParameters
+from pyfluids.cpu.kernel import LBMKernel, KernelType
+from pyfluids.cpu.parameters import RuntimeParameters, GridParameters, PhysicalParameters
 
 
 grid_params = GridParameters()

Python/SlurmTests/poiseuille/simulation_runner.py

@@ -2,7 +2,7 @@ import os
 
 from SlurmTests.poiseuille.settings import Scaling
 from poiseuille.simulation import run_simulation
-from pyfluids.writer import Writer, OutputFormat
+from pyfluids.cpu.writer import Writer, OutputFormat
 
 
 scale_level = int(os.environ["PYFLUIDS_SCALE_LEVEL"])

Python/acousticscaling.py

-from pyfluids.kernel import LBMKernel
-from pyfluids.parameters import GridParameters, PhysicalParameters, RuntimeParameters
+from pyfluids.cpu.kernel import LBMKernel
+from pyfluids.cpu.parameters import GridParameters, PhysicalParameters, RuntimeParameters
 
 
 class OneDirectionalAcousticScaling:
@@ -13,10 +13,10 @@ class OneDirectionalAcousticScaling:
         self._runtime_params = runtime_parameters
         self._kernel = kernel
 
-    def configuration_for_scale_level(self, level: int = 1) -> (GridParameters,
+    def configuration_for_scale_level(self, level: int = 1) -> tuple[GridParameters,
                                                                 PhysicalParameters,
                                                                 RuntimeParameters,
-                                                                LBMKernel):
+                                                                LBMKernel]:
         if level < 0:
             raise ValueError("level must be >= 0")