add build_libint

take 2

try 3

try 4

try 5

try 6

try 7

libint_maybe_unused

build src

split

.github/workflows/ci_cmake.yml

@@ -0,0 +1,121 @@
+name: BuildCM
+
+on:
+  push:
+    branches:
+      - master
+  pull_request:
+
+jobs:
+  build_repo:
+    strategy:
+      fail-fast: false
+      matrix:
+        build_type : [ Release, Debug ]
+        os : [ macos-latest, ubuntu-20.04 ]
+        include:
+          - os: ubuntu-20.04
+            cxx: g++-10
+            cc: gcc-10
+          - os: macos-latest
+            cxx: clang++
+            cc: clang
+
+    name: "Repo • ${{ matrix.os }}: ${{ matrix.cxx }} ${{ matrix.build_type }}"
+    runs-on: ${{ matrix.os }}
+    env:
+      CC: ${{ matrix.cc }}
+      CXX : ${{ matrix.cxx }}
+      CCACHE_DIR : ${{github.workspace}}/build/.ccache
+      CCACHE_COMPRESS : true
+      CCACHE_COMPRESSLEVEL : 6
+      BUILD_CONFIG : >
+        -G Ninja
+        -DCMAKE_BUILD_TYPE=${{ matrix.build_type }}
+        -DBUILD_SHARED_LIBS=OFF
+        -DMPIEXEC_PREFLAGS='--bind-to;none;--allow-run-as-root'
+        -DCMAKE_INSTALL_PREFIX=${{github.workspace}}/build/library
+        -DWITH_MAX_AM=2;2
+        -DWITH_ERI_MAX_AM=2;2
+        -DWITH_ERI3_MAX_AM=3;2
+        -DENABLE_ERI=1
+        -DENABLE_ERI3=1
+        -DENABLE_ONEBODY=1
+        -DDISABLE_ONEBODY_PROPERTY_DERIVS=ON
+        -DMULTIPOLE_MAX_ORDER=2
+        -DLIBINT2_ENABLE_PYTHON=ON
+
+    outputs:
+      should_skip: ${{ steps.skip_check.outputs.should_skip }}
+
+    steps:
+    - uses: actions/checkout@v4
+      with:
+        fetch-depth: 0
+      # fetch-depth: 0 for git history to compute version
+
+    - id: skip_check
+      name: Check if can skip
+      uses: fkirc/skip-duplicate-actions@v5
+      with:
+        cancel_others: 'true'
+
+    - name: Create Build Environment
+      if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+      # Some projects don't allow in-source building, so create a separate build directory
+      # We'll use this as our working directory for all subsequent commands
+      run: |
+        cmake -E make_directory ${{github.workspace}}/build/compiler
+        cmake -E make_directory ${{github.workspace}}/build/library
+        cmake -E make_directory ${{github.workspace}}/build/library_test
+
+    - name: Install prerequisite MacOS packages
+      if: ${{ steps.skip_check.outputs.should_skip != 'true' && matrix.os == 'macos-latest' }}
+      run: |
+        brew install ninja gcc@10 boost eigen ccache [email protected] numpy scipy
+        echo "FC=/usr/local/bin/gfortran-10" >> $GITHUB_ENV
+        echo "EIGEN3_INCLUDE_DIR=/usr/local/include/eigen3" >> $GITHUB_ENV
+
+    - name: Install prerequisite Ubuntu packages
+      if: ${{ steps.skip_check.outputs.should_skip != 'true' && matrix.os == 'ubuntu-20.04' }}
+      run: |
+        sudo apt-get update
+        sudo apt-get install ninja-build g++-10 gfortran-10 liblapack-dev libboost-dev libeigen3-dev ccache python3-numpy python3-scipy
+        echo "FC=/usr/bin/gfortran-10" >> $GITHUB_ENV
+        echo "EIGEN3_INCLUDE_DIR=/usr/include/eigen3" >> $GITHUB_ENV
+
+    - name: Prepare ccache timestamp
+      if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+      id: ccache_cache_timestamp
+      shell: cmake -P {0}
+      run: |
+        string(TIMESTAMP current_date "%Y-%m-%d-%H;%M;%S" UTC)
+        message("\"timestamp=${current_date}\" >> $GITHUB_OUTPUT")
+
+    - name: Setup ccache cache files
+      if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+      uses: actions/cache@v3
+      with:
+        path: ${{github.workspace}}/build/.ccache
+        key: ${{ matrix.config.name }}-ccache-${{ steps.ccache_cache_timestamp.outputs.timestamp }}
+        restore-keys: |
+          ${{ matrix.config.name }}-ccache-
+
+    - name: Generate Libint generator
+      if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+      # Use a bash shell so we can use the same syntax for environment variable
+      # access regardless of the host operating system
+      shell: bash
+      working-directory: ${{github.workspace}}/build/compiler
+      run: |
+        git describe --tags
+        cmake -S ../.. -B build $BUILD_CONFIG --log-level=DEBUG
+        cmake --build build --target check-libint2compiler
+
+    - name: Generate Libint library
+      if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+      shell: bash
+      working-directory: ${{github.workspace}}/build/compiler
+      run: |
+        cmake --build build --target libint-library-generate
+

.github/workflows/cmake.yml

@@ -4,7 +4,7 @@ on:
   push:
     branches:
       - master
-  pull_request:
+  #pull_request:
 
 jobs:
   build_repo:

CMakeLists.txt

@@ -4,6 +4,10 @@ if (CMAKE_VERSION VERSION_GREATER_EQUAL "3.24.0")
     # Avoid warning about DOWNLOAD_EXTRACT_TIMESTAMP in CMake 3.24:
     cmake_policy(SET CMP0135 NEW)
 endif()
+if (CMAKE_VERSION VERSION_GREATER_EQUAL "3.25.0")
+    # needed by DynamicVersion
+    cmake_policy(SET CMP0140 NEW)
+endif()
 
 ############################# Version and Metadata #############################
 
@@ -103,9 +107,6 @@ option_with_default(LIBINT2_ENABLE_PYTHON
 option_with_default(LIBINT2_PREFIX_PYTHON_INSTALL
   "For LIBINT2_ENABLE_PYTHON=ON, whether to install the Python module in the Linux manner to CMAKE_INSTALL_PREFIX or to not install it. See target libint2-python-wheel for alternate installation in the Python manner to Python_EXECUTABLE's site-packages." OFF)
 
-option_with_print(LIBINT2_ENABLE_MPFR
-  "Use GNU MPFR library for high-precision testing (EXPERTS ONLY). Consumed at library build-time." OFF)
-## next one defined by `include(CTest)`
 
 #  <<<  Which Integrals Classes, Which Derivative Levels  >>>
 
@@ -262,10 +263,15 @@ option_with_print(LIBINT_FLOP_COUNT
   "Support (approximate) FLOP counting by the library. (Generated code will require C++11!)" OFF)
 option_with_print(LIBINT_PROFILE
   "Turn on profiling instrumentation of the library. (Generated code will require C++11!)" OFF)
+option_with_print(LIBINT2_ENABLE_MPFR
+  "Use GNU MPFR library for high-precision testing (EXPERTS ONLY). Consumed at library build-time." OFF)
+# next one defined by `include(CTest)`
+message(STATUS "Showing option BUILD_TESTING: ${BUILD_TESTING}")
 
-
+#  <<<  Path  >>>
 
 ######################## Process & Validate Options ###########################
+include(autocmake_safeguards)
 include(CheckFunctionExists)
 include(CheckIncludeFileCXX)
 include(FeatureSummary)

INSTALL.md

@@ -58,6 +58,29 @@ The Libint build is structured into three parts:
   - (7) optional Python build alongside library or afterwards. optional testing requires library install
 
 
+Command-line synopsis. See [table](#Build-Targets) for `--target` choices (steps refer to numbered bullets above) and [section](#Configuring-Libint) for `-D options` choices.
+
+```bash
+>>> git clone https://github.com/evaleev/libint.git && cd libint
+>>> ls
+cmake/  COPYING  src/  tests/  ...
+>>> cmake -S. -Bbuild -GNinja -DCMAKE_INSTALL_PREFIX=/path/to/future/install-libint -D options ...
+...
+-- Generating done
+-- Build files have been written to: /current/dir/build
+>>> cmake --build build --target install
+```
+
+### Build Targets
+
+| `--target ...`            | incl. | steps |     ( |  see  | above | )     |       | (TARBALL) `--target ...` [^25] |
+| --------------            | ----- | ----- | ----- | ----- | ----- | ----- | ----- | ------------------------------ |
+| `build_libint`            |   1   |   -   |   -   |   -   |   -   |   -   |   -   | n/a                            |
+| `check-libint2compiler`   |   1   |   2   |   -   |   -   |   -   |   -   |   -   | n/a                            |
+
+[^25]: (TARBALL) targets can include steps 4 onwards; the starting tarball itself is the product of step 3.
+
+
 -----------------------------------------------------------------------------
 
 # Prerequisites

cmake/modules/AddCustomTargetSubproject.cmake

@@ -0,0 +1,46 @@
+# Copyright 2020 Eduard F Valeyev
+# Distributed under the OSI-approved BSD 3-Clause License.
+# See https://opensource.org/licenses/BSD-3-Clause for details.
+
+# copy of https://github.com/BTAS/BTAS/blob/master/cmake/modules/AddCustomTargetSubproject.cmake
+#
+# add_custom_target_subproject(proj X ...) defines custom target X-proj and
+# - if target X already exists, makes it depend on X-proj
+# - else creates target X depending on X-proj
+#
+# use case: if custom target names (e.g. "check", "doc", etc.) clash
+#           with other project's target when used as a subproject
+#
+# example: add_custom_target_subproject(myproject check USES_TERMINAL COMMAND ${CMAKE_CTEST_COMMAND} -V)
+#
+
+macro(add_custom_target_subproject _subproj _name)
+
+  set(extra_args "${ARGN}")
+  add_custom_target(${_name}-${_subproj} ${extra_args})
+
+  # does the newly-created target get compiled by default?
+  list(FIND extra_args "ALL" extra_args_has_all)
+  if (NOT (extra_args_has_all EQUAL -1))
+    set (target_built_by_default ON)
+  endif()
+
+  if (TARGET ${_name})
+    # is existing target ${_name} also compiled by default?
+    # warn if not, but this project's target is since that
+    # may indicate inconsistent creation of generic targets
+    get_target_property(supertarget_not_built_by_default ${_name} EXCLUDE_FROM_ALL)
+    if (target_built_by_default AND supertarget_not_built_by_default)
+      message(WARNING "Created target ${_name}-${_subproj} is built by default but \"super\"-target ${_name} is not; perhaps it should be?")
+    endif()
+    add_dependencies(${_name} ${_name}-${_subproj})
+  else (TARGET ${_name})
+    # use ALL if given
+    if (target_built_by_default)
+      add_custom_target(${_name} ALL DEPENDS ${_name}-${_subproj})
+    else (target_built_by_default)
+      add_custom_target(${_name} DEPENDS ${_name}-${_subproj})
+    endif(target_built_by_default)
+  endif (TARGET ${_name})
+
+endmacro()

cmake/modules/autocmake_safeguards.cmake

@@ -0,0 +1,27 @@
+# Downloaded from
+#   https://github.com/coderefinery/autocmake/blob/master/modules/safeguards.cmake
+# * changed text of in-source message
+
+#.rst:
+#
+# Provides safeguards against in-source builds and bad build types.
+#
+# Variables used::
+#
+#   PROJECT_SOURCE_DIR
+#   PROJECT_BINARY_DIR
+#   CMAKE_BUILD_TYPE
+
+if(${PROJECT_SOURCE_DIR} STREQUAL ${PROJECT_BINARY_DIR})
+    message(FATAL_ERROR "In-source builds not allowed. Please run CMake from top directory and specify a build directory (e.g., cmake -S. -Bbuild).")
+endif()
+
+string(TOLOWER "${CMAKE_BUILD_TYPE}" cmake_build_type_tolower)
+string(TOUPPER "${CMAKE_BUILD_TYPE}" cmake_build_type_toupper)
+
+if(NOT cmake_build_type_tolower STREQUAL "debug" AND
+   NOT cmake_build_type_tolower STREQUAL "release" AND
+   NOT cmake_build_type_tolower STREQUAL "minsizerel" AND
+   NOT cmake_build_type_tolower STREQUAL "relwithdebinfo")
+    message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, MinSizeRel, RelWithDebInfo (case-insensitive).")
+endif()

include/libint2/config.h.cmake.in

@@ -326,6 +326,22 @@
 #define LIBINT_DEPRECATED(msg) LIBINT_XPRAGMA( LIBINT_CONCAT(message, msg) )
 #endif
 
+#ifdef __has_cpp_attribute
+#if __has_cpp_attribute(maybe_unused)
+#define LIBINT_MAYBE_UNUSED [[maybe_unused]]
+#endif
+#endif  // __has_cpp_attribute
+#ifndef LIBINT_MAYBE_UNUSED
+#if defined __has_attribute
+#  if __has_attribute (unused)
+#    define LIBINT_MAYBE_UNUSED __attribute__ ((unused))
+#  endif
+#endif  // __has_attribute
+#endif  // LIBINT_MAYBE_UNUSED
+#ifndef LIBINT_MAYBE_UNUSED  // fallback
+#define LIBINT_MAYBE_UNUSED
+#endif
+
 #if @_EXPORT_MODE@
 #include "libint2/config2.h"
 #endif

src/CMakeLists.txt

@@ -1 +1,2 @@
+add_subdirectory(bin)
 add_subdirectory(lib)

src/bin/CMakeLists.txt

@@ -0,0 +1,15 @@
+add_subdirectory(libint)
+
+include(AddCustomTargetSubproject)
+add_custom_target_subproject(
+  libint2compiler
+  check
+  USES_TERMINAL
+  COMMAND ${CMAKE_CTEST_COMMAND} -V -R "libint2/compiler"
+  )
+
+if (BUILD_TESTING)
+    add_subdirectory(test_eri)
+    # borrows main libint/test.cc from libtool layout
+    add_subdirectory(profile)
+endif()