Merge branch 'develop' into 'main'

Develop

See merge request !8

CMakeLists.txt

@@ -8,7 +8,7 @@ option(TADAH_ENABLE_FAST_MATH "Enable fast math optimizations" OFF)
 
 # Guard against in-source builds
 if(${CMAKE_SOURCE_DIR} STREQUAL ${CMAKE_BINARY_DIR})
-    message(FATAL_ERROR "In-source builds not allowed. Please make a new directory (called a build directory) and run CMake from there. You may need to remove CMakeCache.txt and CMakeFiles dir. ")
+  message(FATAL_ERROR "In-source builds not allowed. Please make a new directory (called a build directory) and run CMake from there. You may need to remove CMakeCache.txt and CMakeFiles dir. ")
 endif()
 
 set(CMAKE_CXX_STANDARD 11)
@@ -24,7 +24,7 @@ set(CMAKE_CXX_FLAGS_DEBUG
     FORCE)
 
 set(CMAKE_CXX_FLAGS_RELEASE
-    "-g -O3 -Wall -Wpedantic -Wextra"
+    "-g -O3 -Wall"
     CACHE STRING
     "Release build."
     FORCE)
@@ -35,49 +35,82 @@ set(CMAKE_CXX_FLAGS_PROFILE
     "Flags used by the C++ compiler during profile builds."
     FORCE)
 
+set(CMAKE_CXX_FLAGS_DEVELOP
+    "-g -O3 -Wall -Wpedantic -Wextra"
+    CACHE STRING
+    "Release build."
+    FORCE)
+
 # Set default build type
 if(NOT CMAKE_BUILD_TYPE)
-    set(CMAKE_BUILD_TYPE Release)
+  set(CMAKE_BUILD_TYPE Release)
+endif()
+
+string(TOUPPER ${CMAKE_BUILD_TYPE} CMAKE_BUILD_TYPE)
+if (CMAKE_BUILD_TYPE STREQUAL "DEVELOP")
+  function(find_directory_case_insensitive target_name search_dir result_var)
+    execute_process(
+        COMMAND find "${search_dir}" -maxdepth 1 -type d -iname "${target_name}"
+        OUTPUT_VARIABLE found_dir
+        OUTPUT_STRIP_TRAILING_WHITESPACE
+    )
+
+    if(found_dir)
+      set(${result_var} "${found_dir}" PARENT_SCOPE)
+      message("${TADAH} Develop build: Found directory: ${found_dir}")
+    else()
+      set(${result_var} "" PARENT_SCOPE)
+      message("${TADAH} Develop build: Directory not found.")
+    endif()
+  endfunction()
+
+  find_directory_case_insensitive("md" "$ENV{TADAH_PATH}" DEVELOP_MD_DIR)
+  set(FETCHCONTENT_SOURCE_DIR_TADAH.MD "${DEVELOP_MD_DIR}")
 endif()
 
 # Check is build supported
 string(TOUPPER ${CMAKE_BUILD_TYPE} CMAKE_BUILD_TYPE)
 if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" 
-        OR
-        CMAKE_BUILD_TYPE STREQUAL "RELEASE"
-        OR
-        CMAKE_BUILD_TYPE STREQUAL "PROFILE"
-        )
-    message(STATUS "${TADAH} Build type:  ${CMAKE_BUILD_TYPE}.")
+    OR
+    CMAKE_BUILD_TYPE STREQUAL "RELEASE"
+    OR
+    CMAKE_BUILD_TYPE STREQUAL "PROFILE"
+    OR
+    CMAKE_BUILD_TYPE STREQUAL "DEVELOP"
+)
+  message(STATUS "${TADAH} Build type:  ${CMAKE_BUILD_TYPE}.")
 else()
-    message(FATAL_ERROR "
-    Selected build type is not supported: ${CMAKE_BUILD_TYPE}.
-    Supported build types: Release, Debug, Profile"
-    )
+  message(FATAL_ERROR "
+  Selected build type is not supported: ${CMAKE_BUILD_TYPE}.
+  Supported build types: Release, Debug, Profile"
+  )
 endif()
 
 # Update the documentation string of CMAKE_BUILD_TYPE for GUIs
 set(CMAKE_BUILD_TYPE "${CMAKE_BUILD_TYPE}" CACHE STRING
-    "Choose the type of build, options are: None Debug Release Profile."
+    "Choose the type of build, options are: None Debug Release Profile Develop."
     FORCE)
 
-# Required for GitLab CI/CD
+
+include(FetchContent)
 if(DEFINED ENV{CI_COMMIT_REF_NAME})
-    set(GIT_BRANCH "$ENV{CI_COMMIT_REF_NAME}")
+  set(GIT_BRANCH "$ENV{CI_COMMIT_REF_NAME}")
+elseif(DEFINED ENV{READTHEDOCS})
+  set(GIT_BRANCH "$ENV{READTHEDOCS_VERSION}")
 else()
-    execute_process(
-        COMMAND git rev-parse --symbolic-full-name --abbrev-ref HEAD
-        WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}
-        OUTPUT_VARIABLE GIT_BRANCH
-        OUTPUT_STRIP_TRAILING_WHITESPACE)
+  execute_process(
+    COMMAND git rev-parse --symbolic-full-name --abbrev-ref HEAD
+    WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}
+    OUTPUT_VARIABLE GIT_BRANCH
+    OUTPUT_STRIP_TRAILING_WHITESPACE)
 endif()
+message(STATUS "${TADAH}.LAMMPS Using GIT_BRANCH:  ${GIT_BRANCH}.")
 
-include(FetchContent)
 FetchContent_Declare(
     Tadah.MD
     GIT_REPOSITORY https://git.ecdf.ed.ac.uk/tadah/md.git
     GIT_TAG origin/${GIT_BRANCH}
-    )
+)
 FetchContent_MakeAvailable(Tadah.MD)
 
 add_library(tadah.lammps STATIC lammps_tadah.cpp)
@@ -89,35 +122,35 @@ target_link_libraries (tadah.lammps PUBLIC ${LAPACK_LIBRARIES})
 
 #########################################################################
 if(TADAH_MARCH_NATIVE)
-    include(CheckCXXCompilerFlag)
-    CHECK_CXX_COMPILER_FLAG("-march=native" COMPILER_SUPPORTS_MARCH_NATIVE)
-    if(COMPILER_SUPPORTS_MARCH_NATIVE)
-        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -march=native")
-    else()
-        message(STATUS "${TADAH} ...but -march=native is not supported")
-    endif()
+  include(CheckCXXCompilerFlag)
+  CHECK_CXX_COMPILER_FLAG("-march=native" COMPILER_SUPPORTS_MARCH_NATIVE)
+  if(COMPILER_SUPPORTS_MARCH_NATIVE)
+    set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -march=native")
+  else()
+    message(STATUS "${TADAH} ...but -march=native is not supported")
+  endif()
 endif()
 message(STATUS "${TADAH} Build with -march=native in ${TADAH_MARCH_NATIVE}")
 #########################################################################
 
 #########################################################################
 if(TADAH_ENABLE_FAST_MATH)
-    if((CMAKE_CXX_COMPILER_ID MATCHES "Clang") OR (CMAKE_CXX_COMPILER_ID MATCHES "GNU"))
-        add_compile_options(-ffast-math)
-    elseif(CMAKE_CXX_COMPILER_ID MATCHES "MSVC")
-        add_compile_options(/fp:fast)
-    endif()
+  if((CMAKE_CXX_COMPILER_ID MATCHES "Clang") OR (CMAKE_CXX_COMPILER_ID MATCHES "GNU"))
+    add_compile_options(-ffast-math)
+  elseif(CMAKE_CXX_COMPILER_ID MATCHES "MSVC")
+    add_compile_options(/fp:fast)
+  endif()
 else()
-    if(CMAKE_CXX_COMPILER_ID MATCHES "MSVC")
-        add_compile_options(/fp:precise)
-    endif()
+  if(CMAKE_CXX_COMPILER_ID MATCHES "MSVC")
+    add_compile_options(/fp:precise)
+  endif()
 endif()
 message(STATUS "${TADAH}: Build with fast math optimisation is ${TADAH_ENABLE_FAST_MATH}")
 #########################################################################
 
 if(TADAH_BUILD_TESTS)
-    include(CTest) 
-    add_subdirectory(tests)
+  include(CTest) 
+  add_subdirectory(tests)
 endif()
 
 message(STATUS "===================================================================")