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loriabloriab
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add build_libint
take 2 try 3 try 4 try 5 try 6 try 7 libint_maybe_unused build src split
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‎.github/workflows/ci_cmake.yml

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

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push:
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branches:
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- master
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pull_request:
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#pull_request:
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jobs:
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build_repo:

‎CMakeLists.txt

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# Avoid warning about DOWNLOAD_EXTRACT_TIMESTAMP in CMake 3.24:
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cmake_policy(SET CMP0135 NEW)
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endif()
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if (CMAKE_VERSION VERSION_GREATER_EQUAL "3.25.0")
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# needed by DynamicVersion
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cmake_policy(SET CMP0140 NEW)
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endif()
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############################# Version and Metadata #############################
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@@ -103,9 +107,6 @@ option_with_default(LIBINT2_ENABLE_PYTHON
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option_with_default(LIBINT2_PREFIX_PYTHON_INSTALL
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"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)
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option_with_print(LIBINT2_ENABLE_MPFR
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"Use GNU MPFR library for high-precision testing (EXPERTS ONLY). Consumed at library build-time." OFF)
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## next one defined by `include(CTest)`
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# <<< Which Integrals Classes, Which Derivative Levels >>>
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"Support (approximate) FLOP counting by the library. (Generated code will require C++11!)" OFF)
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option_with_print(LIBINT_PROFILE
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"Turn on profiling instrumentation of the library. (Generated code will require C++11!)" OFF)
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option_with_print(LIBINT2_ENABLE_MPFR
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"Use GNU MPFR library for high-precision testing (EXPERTS ONLY). Consumed at library build-time." OFF)
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# next one defined by `include(CTest)`
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message(STATUS "Showing option BUILD_TESTING: ${BUILD_TESTING}")
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# <<< Path >>>
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######################## Process & Validate Options ###########################
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include(autocmake_safeguards)
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include(CheckFunctionExists)
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include(CheckIncludeFileCXX)
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include(FeatureSummary)

‎INSTALL.md

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

‎cmake/modules/AddCustomTargetSubproject.cmake

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

‎cmake/modules/autocmake_safeguards.cmake

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

‎include/libint2/config.h.cmake.in

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

‎src/CMakeLists.txt

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add_subdirectory(bin)
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add_subdirectory(lib)

‎src/bin/CMakeLists.txt

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

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