CMake tweaks and cleanup to help with alps uenv builds

.gitignore

@@ -11,6 +11,7 @@ manual/ippl_user_guide.pdf
 build*/
 *~
 *.~
+*.orig
 
 # ignore build directories
 build*/

CMakeLists.txt

@@ -1,32 +1,88 @@
-cmake_minimum_required(VERSION 3.20)
+# ------------------------------------------------------------------------------
+# CMake version requirement
+# ------------------------------------------------------------------------------
+cmake_minimum_required(VERSION 3.24)
 
-set(CMAKE_CXX_FLAGS_DEBUG_INIT "-O0 -g")
-set(CMAKE_CXX_FLAGS_RELEASE_INIT "-O3")
-set(CMAKE_CXX_FLAGS_RELWITHDEBINFO_INIT "-O3 -g")
+# ------------------------------------------------------------------------------
+# Policies - use the latest of everything
+# ------------------------------------------------------------------------------
+cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION})
 
-project(IPPL LANGUAGES CXX VERSION 3.0.2)
+# ------------------------------------------------------------------------------
+# Project declaration and version
+# ------------------------------------------------------------------------------
+project(IPPL VERSION 3.2 LANGUAGES CXX)
 
-list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
+# Symbolic version string (for CLI, logs, headers, etc.)
+set(IPPL_VERSION_NAME   "IPPL v${IPPL_VERSION}")
 
-option(IPPL_ENABLE_UNIT_TESTS "Enable unit tests using GoogleTest" OFF)
-option(IPPL_ENABLE_FFT "Enable FFT support" OFF)
-option(IPPL_ENABLE_SOLVERS "Enable IPPL solvers" OFF)
-option(IPPL_ENABLE_ALPINE "Enable building the Alpine module" OFF)
-option(IPPL_ENABLE_COSMOLOGY "Enable building the Cosmology module" OFF)
-option(IPPL_ENABLE_TESTS "Build integration tests in test/ directory" OFF)
-option(IPPL_DYL "Build IPPL as a shared library (ON) or static library (OFF)" OFF)
-option(IPPL_ENABLE_COVERAGE "Enable code coverage" OFF)
-option(IPPL_ENABLE_NSYS_PROFILER "Enable Nvidia Nsys Profiler" OFF)
-option(IPPL_ENABLE_SANITIZER "Enable sanitizer(s)" OFF)
-option(USE_ALTERNATIVE_VARIANT "Use modified variant implementation (required for CUDA 12.2 + GCC 12.3.0)" OFF)
+message(STATUS
+    "📦 Configuring IPPL Version: ${IPPL_VERSION_MAJOR}.${IPPL_VERSION_MINOR} : \"${IPPL_VERSION_NAME}\""
+)
 
+# ------------------------------------------------------------------------------
+# Module path
+# ------------------------------------------------------------------------------
+list(PREPEND CMAKE_MODULE_PATH
+  "${PROJECT_SOURCE_DIR}/cmake" "${PROJECT_SOURCE_DIR}/CMakeModules")
 
+# ------------------------------------------------------------------------------
+# Primary IPPL options
+# ------------------------------------------------------------------------------
+option(IPPL_ENABLE_UNIT_TESTS       "Enable unit tests using GoogleTest" OFF)
+option(IPPL_ENABLE_FFT              "Enable FFT support" OFF)
+option(IPPL_ENABLE_SOLVERS          "Enable IPPL solvers" OFF)
+option(IPPL_ENABLE_ALPINE           "Enable building the Alpine module" OFF)
+option(IPPL_ENABLE_COSMOLOGY        "Enable building the Cosmology module" OFF)
+option(IPPL_ENABLE_TESTS            "Build integration tests in test/ directory" OFF)
+option(IPPL_DYL                     "Build IPPL as a shared library (ON) or static library (OFF)" OFF)
+option(IPPL_ENABLE_COVERAGE         "Enable code coverage" OFF)
+option(IPPL_ENABLE_NSYS_PROFILER    "Enable Nvidia Nsys Profiler" OFF)
+option(IPPL_ENABLE_SANITIZER        "Enable sanitizer(s)" OFF)
+option(IPPL_USE_ALTERNATIVE_VARIANT "Use modified variant implementation (required for CUDA 12.2 + GCC 12.3.0)" OFF)
+option(IPPL_USE_STANDARD_FOLDERS    "Put all generated binaries in bin/lib folders" OFF)
+
+# ------------------------------------------------------------------------------
+# Setup Output directories
+# ------------------------------------------------------------------------------
+if (IPPL_USE_STANDARD_FOLDERS)
+    set(CMAKE_RUNTIME_OUTPUT_DIRECTORY
+        ${PROJECT_BINARY_DIR}/bin
+        CACHE PATH "Single Directory for all Executables.")
+    set(CMAKE_LIBRARY_OUTPUT_DIRECTORY
+        ${PROJECT_BINARY_DIR}/lib
+        CACHE PATH "Single Directory for all Libraries")
+    set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY
+        ${PROJECT_BINARY_DIR}/lib
+        CACHE PATH "Single Directory for all static libraries.")
+endif()
+
+# ------------------------------------------------------------------------------
+# cmake modules
+# ------------------------------------------------------------------------------
+# cmake supplied
+include(GNUInstallDirs)
+include(FetchContent)
+include(CMakePackageConfigHelpers)
+# custom ones
+include(Messages)
 include(ProjectSetup)
-include(Version)
+include(ExternalProject)
 include(CompilerOptions)
 include(Platforms)
 include(Dependencies)
 
+# ------------------------------------------------------------------------------
+# Deprecated vars
+# ------------------------------------------------------------------------------
+if(DEFINED USE_ALTERNATIVE_VARIANT)
+    colour_message(WARNING ${Red} "USE_ALTERNATIVE_VARIANT is deprecated. Please set IPPL_USE_ALTERNATIVE_VARIANT instead.")
+    set(IPPL_USE_ALTERNATIVE_VARIANT ${USE_ALTERNATIVE_VARIANT})
+endif()
+
+# ------------------------------------------------------------------------------
+# Define sources for project
+# ------------------------------------------------------------------------------
 add_subdirectory(src)
 
 if (IPPL_ENABLE_UNIT_TESTS OR IPPL_ENABLE_TESTS)

CMakeUserPresets.json

@@ -0,0 +1,64 @@
+{
+  "version": 3,
+  "cmakeMinimumRequired": {
+    "major": 3,
+    "minor": 24,
+    "patch": 0
+  },
+  "configurePresets": [
+    {
+      "name": "testing",
+      "hidden": true,
+      "cacheVariables": {
+        "IPPL_ENABLE_TESTS": "ON",
+        "IPPL_ENABLE_UNIT_TESTS": "ON"
+      }
+    },
+    {
+      "name": "default",
+      "displayName": "Default",
+      "description": "Default build, release mode with most common options",
+      "generator": "Unix Makefiles",
+      "cacheVariables": {
+        "BUILD_SHARED_LIBS": "ON",
+        "CMAKE_BUILD_TYPE": "Release",
+        "Kokkos_VERSION_DEFAULT": "4.5.01",
+        "Heffte_VERSION_DEFAULT": "2.4.0",
+        "IPPL_PLATFORMS": "OPENMP;CUDA",
+        "IPPL_ENABLE_FFT": "ON",
+        "IPPL_ENABLE_ALPINE": "ON",
+        "IPPL_ENABLE_COSMOLOGY": "ON",
+        "IPPL_ENABLE_TESTS": "OFF",
+        "IPPL_ENABLE_UNIT_TESTS": "OFF",
+        "IPPL_USE_STANDARD_FOLDERS": "ON"
+      }
+    },
+    {
+      "name": "fetch",
+      "displayName": "ForceDownload",
+      "description": "Always downloads dependencies",
+      "inherits": ["default"],
+      "cacheVariables": {
+        "Kokkos_VERSION": "git.4.5.01",
+        "Heffte_VERSION": "git.9eab7c0eb18e86acaccc2b5699b30e85a9e7bdda"
+      }
+    },
+    {
+      "name": "release-testing",
+      "displayName": "Testing(Release)",
+      "description": "Enables building test in release mode",
+      "inherits": ["testing", "default"]
+    },
+    {
+      "name": "debug-testing",
+      "displayName": "Testing(Debug)",
+      "description": "Enables building test in debug mode",
+      "inherits": ["testing", "default"],
+      "cacheVariables": {
+        "CMAKE_BUILD_TYPE": "Debug",
+        "IPPL_ENABLE_SANITIZER": "ON",
+        "IPPL_PLATFORMS": "SERIAL"
+      }
+    }
+  ]
+}

README.md

@@ -2,7 +2,7 @@
 [![License](https://img.shields.io/github/license/IPPL-framework/ippl)](https://github.com/IPPL-framework/ippl/blob/master/LICENSE)
 
 # Independent Parallel Particle Layer (IPPL)
-Independent Parallel Particle Layer (IPPL) is a performance portable C++ library for Particle-Mesh methods. IPPL makes use of Kokkos (https://github.com/kokkos/kokkos), HeFFTe (https://github.com/icl-utk-edu/heffte), and MPI (Message Passing Interface) to deliver a portable, massively parallel toolkit for particle-mesh methods. IPPL supports simulations in one to six dimensions, mixed precision, and asynchronous execution in different execution spaces (e.g. CPUs and GPUs). 
+Independent Parallel Particle Layer (IPPL) is a performance portable C++ library for Particle-Mesh methods. IPPL makes use of Kokkos (https://github.com/kokkos/kokkos), HeFFTe (https://github.com/icl-utk-edu/heffte), and MPI (Message Passing Interface) to deliver a portable, massively parallel toolkit for particle-mesh methods. IPPL supports simulations in one to six dimensions, mixed precision, and asynchronous execution in different execution spaces (e.g. CPUs and GPUs).
 
 All IPPL releases (< 3.2.0) are available under the BSD 3-clause license. Since version 3.2.0, this repository includes a modified version of the `variant` header by GNU, created to support compilation under CUDA 12.2 with GCC 12.3.0. This header file is available under the same terms as the [GNU Standard Library](https://github.com/gcc-mirror/gcc); note the GNU runtime library exception. As long as this file is not removed, IPPL is available under GNU GPL version 3.
 
@@ -42,11 +42,11 @@ The relevant options of IPPL are
 - `IPPL_ENABLE_FFT`, default `OFF`
   - If `IPPL_ENABLE_FFT` is set, `Heffte_ENABLE_CUDA` will default to `ON` if `IPPL_PLATFORMS` contains `cuda`
   - Otherwise, `Heffte_ENABLE_AVX2` is enabled. FFTW has to be enabled explicitly.
-- `Heffte_ENABLE_FFTW`, default `OFF` 
+- `Heffte_ENABLE_FFTW`, default `OFF`
 - `IPPL_ENABLE_TESTS`, default `OFF`
 - `IPPL_ENABLE_UNIT_TESTS`, default `OFF`
 - `IPPL_ENABLE_ALPINE`, default `OFF`
-- `USE_ALTERNATIVE_VARIANT`, default `OFF`. Can turned on for GPU builds where the use of the system-provided variant doesn't work.  
+- `IPPL_USE_ALTERNATIVE_VARIANT`, default `OFF`. Can turned on for GPU builds where the use of the system-provided variant doesn't work.  
 - `IPPL_ENABLE_SANITIZER, default `OFF`
 - 
 Furthermore, be aware of `CMAKE_BUILD_TYPE`, which can be either
@@ -82,20 +82,20 @@ cmake .. \
     -DIPPL_PLATFORMS=openmp \
     -DHeffte_ENABLE_FFTW=True
 ```
-#### Cuda alpine release build 
+#### Cuda alpine release build
 ```
 cmake .. \
     -DCMAKE_BUILD_TYPE=Release \
     -DKokkos_ARCH_[architecture]=ON \
     -DCMAKE_CXX_STANDARD=20 \
     -DIPPL_ENABLE_FFT=ON \
     -DIPPL_ENABLE_TESTS=ON \
-    -DUSE_ALTERNATIVE_VARIANT=ON \
+    -DIPPL_USE_ALTERNATIVE_VARIANT=ON \
     -DIPPL_ENABLE_SOLVERS=ON \
     -DIPPL_ENABLE_ALPINE=True \
     -DIPPL_PLATFORMS=cuda
 ```
-#### HIP release build (LUMI) 
+#### HIP release build (LUMI)
 ```
 cmake .. \
       -DCMAKE_BUILD_TYPE=Release \
@@ -135,7 +135,7 @@ m-6.0.3/lib/llvm/lib"
 # Contributions
 We are open and welcome contributions from others. Please open an issue and a corresponding pull request in the main repository if it is a bug fix or a minor change.
 
-For larger projects we recommend to fork the main repository and then submit a pull request from it. More information regarding github workflow for forks can be found in this [page](https://docs.github.com/en/pull-requests/collaborating-with-pull-requests/working-with-forks) and how to submit a pull request from a fork can be found [here](https://docs.github.com/en/pull-requests/collaborating-with-pull-requests/proposing-changes-to-your-work-with-pull-requests/creating-a-pull-request-from-a-fork). Please follow the coding guidelines as mentioned in this [page](https://github.com/IPPL-framework/ippl/blob/master/WORKFLOW.md). 
+For larger projects we recommend to fork the main repository and then submit a pull request from it. More information regarding github workflow for forks can be found in this [page](https://docs.github.com/en/pull-requests/collaborating-with-pull-requests/working-with-forks) and how to submit a pull request from a fork can be found [here](https://docs.github.com/en/pull-requests/collaborating-with-pull-requests/proposing-changes-to-your-work-with-pull-requests/creating-a-pull-request-from-a-fork). Please follow the coding guidelines as mentioned in this [page](https://github.com/IPPL-framework/ippl/blob/master/WORKFLOW.md).
 
 You can add an upstream to be able to get all the latest changes from the master. For example, if you are working with a fork of the main repository, you can add the upstream by:
 ```bash

alpine/CMakeLists.txt

@@ -8,7 +8,7 @@ add_subdirectory(ExamplesWithoutPicManager)
 
 set(COMMON_LIBS
     ippl
-    ${MPI_CXX_LIBRARIES}
+    MPI::MPI_CXX
 )
 
 set(COMMON_FLAGS

cmake/CompilerOptions.cmake

@@ -10,13 +10,12 @@
 #
 # Not responsible for:
 #   - Enabling CUDA/OpenMP/Serial                 → Platforms.cmake
-#   - Selecting platform specific compiler flags  → Platforms.cmake 
+#   - Selecting platform specific compiler flags  → Platforms.cmake
 #
 #
 # This file is only concerned with general correctness and development-time safety.
 # -----------------------------------------------------------------------------
 
-
 # === Basic warnings (apply to all builds) ===
 add_compile_options(
     -Wall
@@ -25,8 +24,8 @@ add_compile_options(
 )
 
 # === Use modified variant implementation ===
-if (USE_ALTERNATIVE_VARIANT)
-    add_definitions (-DUSE_ALTERNATIVE_VARIANT)
+if (IPPL_USE_ALTERNATIVE_VARIANT)
+    add_definitions (-DIPPL_USE_ALTERNATIVE_VARIANT)
 endif()
 
 # === Code coverage options ===
@@ -57,9 +56,14 @@ endif()
 # === Debug-specific sanitizers ===
 if(CMAKE_BUILD_TYPE STREQUAL "Debug" AND CMAKE_CXX_COMPILER_ID MATCHES "GNU" AND IPPL_ENABLE_SANITIZER)
     message(STATUS "✅ Enabling AddressSanitizer and UBSan for Debug build")
-    add_compile_options(-fsanitize=address,undefined)
-    add_link_options(-fsanitize=address,undefined)
+    add_compile_options(-fsanitize=address)
+    add_link_options(-fsanitize=address)
 endif()
 
-message(STATUS "✅ Compiler options configured")
+# === Position Independent Code (PIC) for shared libraries ===
+if(BUILD_SHARED_LIBS)
+    message(STATUS "✅ Enabling Position Independent Code (PIC) for shared libraries")
+    set(CMAKE_POSITION_INDEPENDENT_CODE ON)
+endif()
 
+message(STATUS "✅ Compiler options configured")