[ { "path": ".clang-tidy", "content": "# Generated from CLion Inspection settings\n---\nChecks: '-*,\nbugprone-argument-comment,\nbugprone-assert-side-effect,\nbugprone-bad-signal-to-kill-thread,\nbugprone-branch-clone,\nbugprone-copy-constructor-init,\nbugprone-dangling-handle,\nbugprone-dynamic-static-initializers,\nbugprone-fold-init-type,\nbugprone-forward-declaration-namespace,\nbugprone-forwarding-reference-overload,\nbugprone-inaccurate-erase,\nbugprone-incorrect-roundings,\nbugprone-integer-division,\nbugprone-lambda-function-name,\nbugprone-macro-parentheses,\nbugprone-macro-repeated-side-effects,\nbugprone-misplaced-operator-in-strlen-in-alloc,\nbugprone-misplaced-pointer-arithmetic-in-alloc,\nbugprone-misplaced-widening-cast,\nbugprone-move-forwarding-reference,\nbugprone-multiple-statement-macro,\nbugprone-no-escape,\nbugprone-not-null-terminated-result,\nbugprone-parent-virtual-call,\nbugprone-posix-return,\nbugprone-reserved-identifier,\nbugprone-sizeof-container,\nbugprone-sizeof-expression,\nbugprone-spuriously-wake-up-functions,\nbugprone-string-constructor,\nbugprone-string-integer-assignment,\nbugprone-string-literal-with-embedded-nul,\nbugprone-suspicious-enum-usage,\nbugprone-suspicious-include,\nbugprone-suspicious-memset-usage,\nbugprone-suspicious-missing-comma,\nbugprone-suspicious-semicolon,\nbugprone-suspicious-string-compare,\nbugprone-suspicious-memory-comparison,\nbugprone-suspicious-realloc-usage,\nbugprone-swapped-arguments,\nbugprone-terminating-continue,\nbugprone-throw-keyword-missing,\nbugprone-too-small-loop-variable,\nbugprone-undefined-memory-manipulation,\nbugprone-undelegated-constructor,\nbugprone-unhandled-self-assignment,\nbugprone-unused-raii,\nbugprone-unused-return-value,\nbugprone-use-after-move,\nbugprone-virtual-near-miss,\ncert-dcl21-cpp,\ncert-dcl58-cpp,\ncert-err34-c,\ncert-err52-cpp,\ncert-err60-cpp,\ncert-flp30-c,\ncert-msc50-cpp,\ncert-msc51-cpp,\ncert-str34-c,\ncppcoreguidelines-interfaces-global-init,\ncppcoreguidelines-narrowing-conversions,\ncppcoreguidelines-pro-type-member-init,\ncppcoreguidelines-pro-type-static-cast-downcast,\ncppcoreguidelines-slicing,\ngoogle-default-arguments,\ngoogle-explicit-constructor,\ngoogle-runtime-operator,\nhicpp-exception-baseclass,\nhicpp-multiway-paths-covered,\nmisc-misplaced-const,\nmisc-new-delete-overloads,\nmisc-no-recursion,\nmisc-non-copyable-objects,\nmisc-throw-by-value-catch-by-reference,\nmisc-unconventional-assign-operator,\nmisc-uniqueptr-reset-release,\nmodernize-avoid-bind,\nmodernize-concat-nested-namespaces,\nmodernize-deprecated-headers,\nmodernize-deprecated-ios-base-aliases,\nmodernize-loop-convert,\nmodernize-make-shared,\nmodernize-make-unique,\nmodernize-pass-by-value,\nmodernize-raw-string-literal,\nmodernize-redundant-void-arg,\nmodernize-replace-auto-ptr,\nmodernize-replace-disallow-copy-and-assign-macro,\nmodernize-replace-random-shuffle,\nmodernize-return-braced-init-list,\nmodernize-shrink-to-fit,\nmodernize-unary-static-assert,\nmodernize-use-auto,\nmodernize-use-bool-literals,\nmodernize-use-emplace,\nmodernize-use-equals-default,\nmodernize-use-equals-delete,\nmodernize-use-nodiscard,\nmodernize-use-noexcept,\nmodernize-use-nullptr,\nmodernize-use-override,\nmodernize-use-transparent-functors,\nmodernize-use-uncaught-exceptions,\nmpi-buffer-deref,\nmpi-type-mismatch,\nopenmp-use-default-none,\nperformance-faster-string-find,\nperformance-for-range-copy,\nperformance-implicit-conversion-in-loop,\nperformance-inefficient-algorithm,\nperformance-inefficient-string-concatenation,\nperformance-inefficient-vector-operation,\nperformance-move-const-arg,\nperformance-move-constructor-init,\nperformance-no-automatic-move,\nperformance-noexcept-move-constructor,\nperformance-trivially-destructible,\nperformance-type-promotion-in-math-fn,\nperformance-unnecessary-copy-initialization,\nperformance-unnecessary-value-param,\nportability-simd-intrinsics,\nreadability-avoid-const-params-in-decls,\nreadability-const-return-type,\nreadability-container-size-empty,\nreadability-convert-member-functions-to-static,\nreadability-delete-null-pointer,\nreadability-deleted-default,\nreadability-inconsistent-declaration-parameter-name,\nreadability-make-member-function-const,\nreadability-misleading-indentation,\nreadability-misplaced-array-index,\nreadability-non-const-parameter,\nreadability-redundant-control-flow,\nreadability-redundant-declaration,\nreadability-redundant-function-ptr-dereference,\nreadability-redundant-smartptr-get,\nreadability-redundant-string-cstr,\nreadability-redundant-string-init,\nreadability-simplify-subscript-expr,\nreadability-static-accessed-through-instance,\nreadability-static-definition-in-anonymous-namespace,\nreadability-string-compare,\nreadability-uniqueptr-delete-release,\nreadability-use-anyofallof'" }, { "path": ".github/workflows/cmake.yml", "content": "name: Linux/MacOS Build\n\non:\n push:\n pull_request:\n branches: [master]\n\n#env:\n\njobs:\n build:\n strategy:\n fail-fast: false\n matrix:\n build_type : [ Release, Debug ]\n os : [ macos-latest, ubuntu-24.04 ]\n task_backend : [Threads, OneTBB, PaRSEC] # OneTBB and LegacyTBB control which version of TBB to install\n include:\n - os: ubuntu-24.04\n # gcc 14 causes build issues in code that uses RapidJSON: https://github.com/Tencent/rapidjson/issues/2277\n cxx: /usr/bin/g++-13\n - os: macos-latest\n cxx: clang++\n # Add GENTENSOR test configuration\n - os: ubuntu-24.04\n build_type: Debug\n task_backend: Threads\n cxx: /usr/bin/g++-13\n gentensor: ON\n\n name: \"${{ matrix.os }}: ${{ matrix.cxx }} ${{ matrix.build_type }} ${{ matrix.task_backend }}${{ matrix.gentensor && ' +GENTENSOR' || '' }}\"\n runs-on: ${{ matrix.os }}\n env:\n CXX : ${{ matrix.cxx }}\n CCACHE_DIR : ${{github.workspace}}/build/.ccache\n CCACHE_COMPRESS : true\n CCACHE_COMPRESSLEVEL : 6\n MAD_SMALL_TESTS : 1\n MAD_NUM_THREADS : 3\n CTEST_OUTPUT_ON_FAILURE : 1\n BUILD_CONFIG : >\n -G Ninja\n -DCMAKE_BUILD_TYPE=${{ matrix.build_type }}\n -DCMAKE_INSTALL_PREFIX=${{github.workspace}}/install\n -DCMAKE_PREFIX_PATH=\"/usr/local/opt/bison;/usr/local/opt/libxc\"\n -DBUILD_SHARED_LIBS=OFF\n -DMPIEXEC_PREFLAGS='--bind-to;none;--allow-run-as-root'\n -DBUILD_TESTING=ON\n -DMADNESS_ENABLE_CEREAL=ON\n -DMPI_CXX_SKIP_MPICXX=ON\n -DCMAKE_CXX_STANDARD=${{ matrix.task_backend == 'Threads' && matrix.build_type == 'Debug' && '20' || '17' }}\n -DMADNESS_BUILD_MADWORLD_ONLY=${{ matrix.task_backend != 'Threads' }}\n -DMADNESS_BUILD_LIBRARIES_ONLY=${{ matrix.build_type == 'Debug' }}\n -DENABLE_GENTENSOR=${{ matrix.gentensor || 'OFF' }}\n\n steps:\n - uses: actions/checkout@v4\n\n - name: Create Build Environment\n # Some projects don't allow in-source building, so create a separate build directory\n # We'll use this as our working directory for all subsequent commands\n run: cmake -E make_directory ${{github.workspace}}/build\n\n - name: Process task_backend\n run: |\n if [ \"X${{ matrix.task_backend }}\" = \"XLegacyTBB\" ]; then\n echo \"TASK_BACKEND=TBB\" >> $GITHUB_ENV\n fi\n if [ \"X${{ matrix.task_backend }}\" = \"XOneTBB\" ]; then\n echo \"TASK_BACKEND=TBB\" >> $GITHUB_ENV\n fi\n if [ \"X${{ matrix.task_backend }}\" = \"XThreads\" ]; then\n echo \"TASK_BACKEND=Pthreads\" >> $GITHUB_ENV\n fi\n if [ \"X${{ matrix.task_backend }}\" = \"XPaRSEC\" ]; then\n echo \"TASK_BACKEND=PaRSEC\" >> $GITHUB_ENV\n # do not bind threads to cores to avoid oversubscription\n echo \"PARSEC_MCA_bind_threads=0\" >> $GITHUB_ENV\n fi\n\n - name: Install prerequisite MacOS packages\n if: ${{ matrix.os == 'macos-latest' }}\n run: |\n brew install ninja boost eigen open-mpi bison ccache libxc\n if [ \"X${{ matrix.task_backend }}\" = \"XLegacyTBB\" ]; then\n brew install tbb@2020\n echo \"TBBROOT=/usr/local/opt/tbb@2020\" >> $GITHUB_ENV\n fi\n if [ \"X${{ matrix.task_backend }}\" = \"XOneTBB\" ]; then\n brew install tbb\n echo \"TBBROOT=/usr/local/opt/tbb\" >> $GITHUB_ENV\n fi\n\n - name: Install prerequisites Ubuntu packages\n if: ${{ matrix.os == 'ubuntu-24.04' }}\n run: |\n sudo apt-get update\n sudo apt-get install ninja-build g++-13 liblapack-dev libboost-dev libboost-serialization-dev libeigen3-dev openmpi-bin libopenmpi-dev ccache\n if [ \"X${{ matrix.task_backend }}\" = \"XOneTBB\" ]; then\n wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB -O - | sudo apt-key add -\n sudo add-apt-repository \"deb https://apt.repos.intel.com/oneapi all main\"\n sudo apt-get install intel-oneapi-tbb-devel\n echo \"TBBROOT=/opt/intel/oneapi/tbb/latest\" >> $GITHUB_ENV\n fi\n if [ \"X${{ matrix.task_backend }}\" = \"XLegacyTBB\" ]; then\n sudo apt-get install libtbb-dev\n fi\n if [ \"X${{ matrix.build_type }}\" = \"XDebug\" ]; then\n sudo apt-get install libcereal-dev\n fi\n\n - name: Prepare ccache timestamp\n id: ccache_cache_timestamp\n shell: cmake -P {0}\n run: |\n string(TIMESTAMP current_date \"%Y-%m-%d-%H;%M;%S\" UTC)\n message(\"::set-output name=timestamp::${current_date}\")\n\n - name: Setup ccache cache files\n uses: actions/cache@v4\n with:\n path: ${{github.workspace}}/build/.ccache\n key: ${{ matrix.config.name }}-ccache-${{ steps.ccache_cache_timestamp.outputs.timestamp }}\n restore-keys: |\n ${{ matrix.config.name }}-ccache-\n\n - name: Configure CMake\n # Use a bash shell so we can use the same syntax for environment variable\n # access regardless of the host operating system\n shell: bash\n working-directory: ${{github.workspace}}/build\n # Note the current convention is to use the -S and -B options here to specify source \n # and build directories, but this is only available with CMake 3.13 and higher. \n # The CMake binaries on the Github Actions machines are (as of this writing) 3.12\n run: cmake $GITHUB_WORKSPACE $BUILD_CONFIG -DMADNESS_TASK_BACKEND=$TASK_BACKEND\n\n - name: Build\n working-directory: ${{github.workspace}}/build\n shell: bash\n # Execute the build. You can specify a specific target with \"--target \"\n run: ccache -p && ccache -z && cmake --build . && ccache -s\n\n - name: Test\n working-directory: ${{github.workspace}}/build\n shell: bash\n run: cmake --build . --target check-short-madness\n\n - name: Build and Test Python bindings\n if: matrix.task_backend == 'Threads' && matrix.build_type == 'Release'\n working-directory: ${{github.workspace}}/build\n shell: bash\n run: |\n pip install numpy pytest matplotlib plotly\n cmake $GITHUB_WORKSPACE $BUILD_CONFIG -DMADNESS_TASK_BACKEND=$TASK_BACKEND -DENABLE_PYTHON=ON\n cmake --build . --target _pymadness\n cd src/pymadness\n PYTHONPATH=. python -m pytest -xvs $GITHUB_WORKSPACE/src/pymadness/tests/\n\n - name: Install\n if: matrix.build_type != 'Debug'\n working-directory: ${{github.workspace}}/build\n shell: bash\n run: cmake --build . --target install\n\n - name: Test Install Tree\n if: matrix.build_type != 'Debug'\n working-directory: ${{github.workspace}}/build\n shell: bash\n run: |\n cmake -S $GITHUB_WORKSPACE/doc/tutorial -B test_install -DCMAKE_PREFIX_PATH=${{github.workspace}}/install\n cmake --build test_install\n test_install/test_runtime\n # if built more than just MADWorld run the HF test\n if [ \"X${{ matrix.task_backend }}\" = \"XThreads\" ]; then\n test_install/simple_hf\n fi\n" }, { "path": ".github/workflows/conda-deploy.yml", "content": "name: Conda Deploy\n\non:\n # Run after CI passes on master\n workflow_run:\n workflows: [\"Linux/MacOS Build\"]\n types: [completed]\n branches: [master]\n # Also run on version tags\n push:\n tags:\n - 'v*'\n # Allow manual triggering\n workflow_dispatch:\n\njobs:\n conda-build-upload:\n # Only run if CI succeeded (for workflow_run trigger) or if it's a tag/manual push\n if: >\n github.event_name == 'push' ||\n github.event_name == 'workflow_dispatch' ||\n (github.event.workflow_run.conclusion == 'success')\n strategy:\n fail-fast: false\n matrix:\n os: [ubuntu-24.04, macos-latest]\n mpi: [nompi, openmpi]\n\n name: \"conda ${{ matrix.os }} ${{ matrix.mpi }}\"\n runs-on: ${{ matrix.os }}\n permissions:\n contents: read\n\n defaults:\n run:\n shell: bash -el {0}\n\n steps:\n - uses: actions/checkout@v4\n with:\n fetch-depth: 0 # full history needed for git describe\n repository: ${{ github.repository }}\n ref: ${{ github.event_name == 'workflow_run' && github.event.workflow_run.head_sha || github.ref }}\n\n - name: Determine version\n id: version\n env:\n SOURCE_SHA: ${{ github.event.workflow_run.head_sha || github.sha }}\n run: |\n if [[ \"${GITHUB_REF}\" == refs/tags/v* ]]; then\n VERSION=\"${GITHUB_REF#refs/tags/v}\"\n else\n # Use the most recent version tag, falling back to CMakeLists.txt\n TAG_VERSION=$(git describe --tags --abbrev=0 2>/dev/null | sed 's/^v//')\n if [ -z \"${TAG_VERSION}\" ]; then\n MAJOR=$(grep -m1 'set(MADNESS_MAJOR_VERSION' CMakeLists.txt | grep -oE '[0-9]+')\n MINOR=$(grep -m1 'set(MADNESS_MINOR_VERSION' CMakeLists.txt | grep -oE '[0-9]+')\n MICRO=$(grep -m1 'set(MADNESS_MICRO_VERSION' CMakeLists.txt | grep -oE '[0-9]+')\n TAG_VERSION=\"${MAJOR}.${MINOR}.${MICRO}\"\n fi\n SHORT_SHA=\"${SOURCE_SHA::8}\"\n VERSION=\"${TAG_VERSION}.dev$(date +%Y%m%d)+${SHORT_SHA}\"\n fi\n echo \"version=$VERSION\" >> \"$GITHUB_OUTPUT\"\n echo \"GIT_DESCRIBE_TAG=$VERSION\" >> \"$GITHUB_ENV\"\n echo \"Version: $VERSION\"\n\n - name: Set up Miniconda\n uses: conda-incubator/setup-miniconda@v3\n with:\n auto-update-conda: true\n python-version: \"3.12\"\n channels: conda-forge,defaults\n channel-priority: strict\n\n - name: Install conda-build and anaconda-client\n run: |\n conda install -y conda-build anaconda-client\n\n - name: Build conda package\n env:\n MPI_VARIANT: ${{ matrix.mpi }}\n run: |\n conda build conda-recipe/ \\\n --no-anaconda-upload \\\n --output-folder \"${{ github.workspace }}/conda-dist/\"\n\n - name: Upload conda package as workflow artifact\n uses: actions/upload-artifact@v4\n with:\n name: conda-${{ matrix.os }}-${{ matrix.mpi }}-${{ steps.version.outputs.version }}\n path: ${{ github.workspace }}/conda-dist/**/*.conda\n if-no-files-found: warn\n\n - name: Upload to Anaconda.org\n env:\n ANACONDA_TOKEN: ${{ secrets.ANACONDA_TOKEN }}\n run: |\n find \"${{ github.workspace }}/conda-dist\" \\( -name '*.tar.bz2' -o -name '*.conda' \\) -print0 | \\\n while IFS= read -r -d '' pkg; do\n anaconda -t \"${ANACONDA_TOKEN}\" upload --user m-a-d-n-e-s-s --force \"$pkg\"\n done\n" }, { "path": ".github/workflows/make_doxygen.yml", "content": "name: publish-doxygen\n\n# Trigger this when a pull request is merged (which implies pushing to master).\non:\n push:\n branches:\n - master\n\njobs:\n doxygen:\n runs-on: ubuntu-latest\n\n steps:\n\n - name: Git Checkout\n uses: actions/checkout@v4\n\n - name: Install prerequisites Ubuntu packages\n run: |\n sudo apt-get update\n sudo apt-get install -y ninja-build g++-13 liblapack-dev openmpi-bin libopenmpi-dev libtbb-dev doxygen graphviz\n\n - name: Configure CMake\n shell: bash\n working-directory: ${{github.workspace}}\n run: |\n cmake -E make_directory ${{github.workspace}}/build\n cd build && cmake $GITHUB_WORKSPACE -G Ninja -DCMAKE_BUILD_TYPE=Release\n\n - name: Build doxygen docs\n shell: bash\n working-directory: ${{github.workspace}}/build\n run: cmake --build . --target html-madness\n\n - name: Deploy to GitHub Pages\n shell: bash\n env:\n GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}\n run: |\n git config --global user.email \"action@github.com\"\n git config --global user.name \"GitHub Actions\"\n cmake -E make_directory ${{github.workspace}}/gh-pages-deploy\n cp -rp ${{github.workspace}}/build/doc/html ${{github.workspace}}/gh-pages-deploy/api-doc\n cd ${{github.workspace}}/gh-pages-deploy\n # create a brand-new repo so that gh-pages contains no history\n git init\n git add .\n git commit -q -m \"Generated API doc via GitHub Actions (run $GITHUB_RUN_NUMBER)\"\n git checkout -b gh-pages\n git remote add origin https://x-access-token:${GITHUB_TOKEN}@github.com/${GITHUB_REPOSITORY}.git\n git push origin +gh-pages\n\n - name: Result URLs\n run: |\n REPO_OWNER=$(echo $GITHUB_REPOSITORY | cut -d '/' -f 1)\n REPO_NAME=$(echo $GITHUB_REPOSITORY | cut -d '/' -f 2)\n echo \"Formatted API docs: https://$REPO_OWNER.github.io/$REPO_NAME/api-doc\"\n echo \"\"\n echo \"GitHub pages branch: $GITHUB_SERVER_URL/$GITHUB_REPOSITORY/tree/gh-pages\"\n" }, { "path": ".gitignore", "content": "build*\ncmake-build-debug*\n.history*\n\n# Compiled Object files\n*.slo\n*.lo\n*.o\n*.obj\n\n# Compiled Dynamic libraries\n*.so\n*.dylib\n*.dll\n\n# Compiled Static libraries\n*.lai\n*.la\n*.a\n*.lib\n\n# Executables\n*.exe\n*.out\n*.app\n\n.cproject\n.project\n.settings\n.idea\nMakefile.in\nsrc/madness/config.h.in\naclocal.m4\nautom4te.cache\nconfigure\ntest-driver\nlog.00*\norg.eclipse.cdt.core.prefs\norg.eclipse.cdt.ui.prefs\n.autotools\n.externalToolBuilders/org.eclipse.cdt.autotools.core.genmakebuilderV2.launch\ncompile\nconfig.guess\nconfig.sub\ndepcomp\ninstall-sh\nmissing\n/Default/\nlt~obsolete.m4\nltversion.m4\nltsugar.m4\nltoptions.m4\nltmain.sh\nlibtool.m4\nconfig.h.in~\ncmake/cmake-*\ncmake/bin\ncmake/doc\ncmake/share\nMakefile-prog.in\ncompile_commands.json\n*.idx\n.clang-format\n/cmake-build-debug/.ninja_deps\ncompile_commands\n.history/src/apps/molresponse/global_functions_20230530165227.cc\n.history/src/apps/molresponse/global_functions_20230530165428.cc\ndiff.txt\nnewdiff.txt\n.vscode/settings.json\n" }, { "path": ".readthedocs.yaml", "content": "# .readthedocs.yaml\n# Read the Docs configuration file\n# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details\n\n# Required\nversion: 2\n\n# Set the version of Python and other tools you might need\nbuild:\n os: ubuntu-20.04\n tools:\n python: \"3.9\"\n # You can also specify other tool versions:\n # nodejs: \"16\"\n # rust: \"1.55\"\n # golang: \"1.17\"\n\n# Build documentation in the docs/ directory with Sphinx\nsphinx:\n configuration: doc/conf.py\n\n# If using Sphinx, optionally build your docs in additional formats such as PDF\n# formats:\n# - pdf\n\n# Optionally declare the Python requirements required to build your docs\npython:\n install:\n - requirements: doc/requirements.txt\n\n" }, { "path": "AGENTS.md", "content": "# Agent Instructions for MADNESS\n\nCanonical guidance for coding agents working on this repo. For installing\ndependencies and walking through a first build, see `INSTALL.md`. This file\ncovers what an agent needs beyond that: the source layout, how tests are\norganized, and the project-specific gotchas that are easy to get wrong.\n\n`CLAUDE.md` is a symlink to this file; there is no vendor-specific variant.\n\n**How to use this file.** Treat it as a starting map, not authority. The code is the source of truth — when this file disagrees with what `grep`/`Read` show you, trust the code and flag the discrepancy so this file can be updated.\n\n_Last reviewed against master:_ 2026-04-23.\n\n## Platforms\n\nMADNESS targets POSIX only — Linux and macOS on x86-64, ARM64, and IBM\nPower. Windows is not supported. Do not add `#ifdef _WIN32` branches, path\nhandling that assumes backslashes, or dependencies that are Windows-only.\nPOSIX facilities (`pthread`, `mmap`, `fork`, `dlopen`, `sys/stat.h`, …) may\nbe used directly without feature detection beyond the existing\n`HAVE_*` macros.\n\n## Source tree\n\n- `src/madness/world` — parallel runtime, a.k.a. **MADWorld** (tasks, futures, MPI wrappers).\n- `src/madness/tensor` — dense tensors and BLAS/LAPACK wrappers.\n- `src/madness/mra` — multiresolution analysis (`Function`, operators).\n- `src/madness/chem` — electronic-structure building blocks (SCF, XC, …).\n- `src/madness/misc`, `src/madness/external` — utilities, bundled deps.\n- `src/apps/*` — end-user applications (`moldft`, `nemo`, `cc2`, `mp2`, …).\n- `src/examples`, `src/pymadness` — samples and Python bindings.\n\n## Build directories\n\nPrefer reusing an existing out-of-tree build directory over creating a new\none from scratch, so you don't re-pay CMake configure time. Common local\nconventions are `cmake-build-{debug,release,relwithdebinfo}` and `build*`.\nIf several exist side-by-side, check their\ncached CMake options (`grep … CMakeCache.txt`) — configure state often\ndiverges between them.\n\nFor focused iteration, these scope flags drop rebuild time substantially:\n\n- `-DMADNESS_BUILD_MADWORLD_ONLY=ON` — build only the runtime, skipping\n `tensor`/`mra`/`chem`/`apps`. Right for work confined to `src/madness/world`.\n- `-DMADNESS_BUILD_LIBRARIES_ONLY=ON` — build the libraries, skip `src/apps`.\n Right for changes to numerical layers when you don't need `moldft`/`nemo`/\n `cc2`.\n\n## Tests\n\nTests live next to the sources they exercise and are registered through\n`add_unittests(component sources libs labels)` (see\n`cmake/modules/AddUnittests.cmake`). The macro emits:\n\n- one CTest entry per source file at `madness/test///run`,\n with `` derived from the source filename, and\n- a per-component `madness/test//build` entry that builds the\n unit-test targets on demand.\n\nBoth entries carry the `labels` passed to the macro. There is no filename\nconvention — most test sources follow `test*.cc` / `test_*.cc` by habit,\nbut the macro accepts any source name (e.g. `src/madness/misc/interp3.cc`,\n`src/examples/periodic/erfcr.cc`).\n\nThe `check-short-madness` target runs everything labeled `short` or `medium`\nvia `ctest -L \"short|medium\"`. To run a subset without the full suite:\n\n```\nctest -L short -R \"madness/test/mra\" # all mra tests in the short set\nctest -R \"madness/test/mra/test_cloud/run\" # a single test by name\n```\n\nEach test is also a normal binary under\n`//` (mirroring the source tree, so\n`src/madness/mra` tests land at `/src/madness/mra/`, and\n`src/examples/periodic` tests at `/src/examples/periodic/`)\nand can be invoked directly for debugging.\n\n### Smoke test\n\n`testsuite` in `src/madness/mra` is the broad numerical-library regression\nharness. From a configured build directory:\n\n```\nninja testsuite\n./src/madness/mra/testsuite\n```\n\nSuccess: the program prints `testsuite passed: true` and exits 0. For the\nMPI variant:\n\n```\nMAD_NUM_THREADS=2 mpiexec -np 2 ./src/madness/mra/testsuite\n```\n\n### moldft smoke\n\n```\nninja moldft\n./src/apps/moldft/moldft --geometry=water --dft=\"xc=lda\"\n```\n\nExit code 0 on success. Reference inputs for regression checks are in\n`src/apps/moldft/tests/*.in`.\n\n## Project-specific gotchas\n\n- **BLAS must be sequential.** MADNESS owns parallelism via its own task\n pool; a threaded BLAS inside a task oversubscribes cores. Use\n single-threaded MKL, Accelerate, or OpenBLAS-serial.\n- **Static libs are the default because ASLR is assumed.** Building shared\n libs on a system without ASLR requires\n `-DMADNESS_ASSUMES_ASLR_DISABLED=ON`. Do not flip `BUILD_SHARED_LIBS`\n casually.\n- **MPI is required by default.** `-DENABLE_MPI=OFF` is rarely used but\n still supported and maintained — in that mode `stubmpi.h` stands in for\n the subset of MPI that `SafeMPI` uses. Any new code that reaches for MPI\n must go through `SafeMPI` / `World::mpi` (see runtime invariants below)\n so this path continues to compile.\n- **`-DENABLE_NEVER_SPIN=ON`** is a workaround for VMs/containers where\n spinlocks burn CPU. Leave it off on bare metal.\n- **`-DENABLE_GENTENSOR=ON`** swaps in a compressed-tensor code path used\n for 6D work (MP2, CC2). Off by default and tested in only one CI cell,\n so changes in the tensor layer should be checked with it on when\n relevant.\n\n## Runtime & deployment\n\nThese are concerns for launch scripts and performance tuning, not the source\nitself — and they are largely undiscoverable by reading the code.\n\n### Task backend\n\n`-DMADNESS_TASK_BACKEND={Pthreads,TBB,PaRSEC}` (CMake, default `Pthreads`):\n\n- **Pthreads** — MADNESS's own pool. Pick this when you need execution on\n just the main thread; TBB and PaRSEC always spawn at least one worker.\n- **PaRSEC** — preferred for production. Disable PaRSEC's own thread\n binding or it will fight the launcher:\n `export PARSEC_MCA_bind_threads=0`.\n- **TBB** — Intel TBB task pool; autodetected when available.\n\n### Thread count and the comm thread\n\nWhenever `nranks > 1`, each rank spawns a dedicated MADNESS communication\nthread **in addition to** the `MAD_NUM_THREADS` workers. MPI implementations\ntypically want a core for their own progress thread too, so the budget is:\n\n- Comm-heavy workloads (MRA integral operators, TA tensor contractions):\n `MAD_NUM_THREADS = hwthreads_per_rank − 2` (one hwthread each for the\n MADNESS and MPI comm threads).\n- Small ranks (≈16 hwthreads) or light comm: `... − 1` is usually fine —\n the two comm threads co-exist on one core without meaningful contention.\n- Never oversubscribe.\n\n### Rank pinning\n\nFor MRA workloads, pin each rank to an L3 slice (or NUMA domain on systems\nwithout L3-sized domains). Launch flags are deployment-specific:\n\n- OpenMPI: `mpirun --map-by l3cache` or `--map-by numa`.\n- Other MPI vendors: flags vary, some lack pinning entirely.\n- SLURM: `--cpu-bind` / `--distribution` rather than the MPI flags.\n\nDocument the chosen command with the application, not here.\n\n### Communication buffers\n\nOne-sided sends/receives use fixed-size buffers; 2-sided is supported but\nmuch slower, so the 1-sided path should fit the common message.\n\n- `MAD_BUFFER_SIZE` (env var, bytes) — default `3*512*1024` ≈ 1.5 MiB,\n defined at `src/madness/world/worldrmi.h`.\n- MRA rule of thumb: a tree-node payload is\n `sizeof(T) · (2k)^NDIM + metadata`. The default comfortably holds\n several nodes at typical `k ≤ 10, NDIM ≤ 3`; raise it for larger `k`,\n 6D work, or TiledArray-style bulk tensor transfers.\n- MPI vendors have their own eager/rendezvous cutoffs (MVAPICH in\n particular) — consult vendor docs when tuning comm perf.\n\n### Apple Silicon + Homebrew OpenMPI\n\nHomebrew's OpenMPI on Apple M-series links HWLOC, which probes hardware\nvia OpenCL and crashes at startup if launched outside `mpiexec`. Either:\n\n- Always launch via `mpiexec`, even for `-np 1`, or\n- `export HWLOC_COMPONENTS=darwin,no_os,-opencl` to skip the OpenCL probe.\n\n## Coding conventions\n\n### Error handling\n\nMADNESS ships several macros with distinct intent (`madness_exception.h`).\nPick by *why* you're checking, not by what's short to type:\n\n- **`MADNESS_CHECK(cond)` / `MADNESS_CHECK_THROW(cond, msg)`** — always-on\n checks: state-machine preconditions, collective-ordering requirements,\n user input validation. Use these for invariants that must hold in release\n builds.\n- **`MADNESS_ASSERT(cond)`** — debug-only, expensive invariants. Its runtime\n behavior (throw / abort / std::assert / disabled) depends on the\n `ASSERTION_TYPE` CMake variable; release builds often compile these out.\n Do **not** use for checks that must run in production.\n- **`MADNESS_EXCEPTION(msg, value)`** — explicit throw sites (unreachable\n branches, unsupported configurations). Not a conditional.\n- **`MADNESS_ASSERT_NOEXCEPT`** — use inside `noexcept` functions where a\n throwing `MADNESS_ASSERT` would call `std::terminate`.\n\n### CMake harness\n\nMADNESS is designed to be consumed by parent projects both as an installed\npackage *and* as a subproject (via `FetchContent` / `add_subdirectory`, e.g.\nfrom TiledArray and MPQC). Maintain both invariants when editing CMake.\n\n- **No generic target names.** `check`, `doc`, `unittests`, `applications`\n would collide with a parent project's targets. Define subproject-scoped\n targets with `add_custom_target_subproject(madness …)` from\n `cmake/modules/AddCustomTargetSubproject.cmake`; it creates `-madness`\n and hooks it into `` if the parent already defined it.\n- **Use the `add_mad_*` wrappers**, not raw `add_library` / `add_executable`.\n `add_mad_library` / `add_mad_hdr_library` / `add_mad_executable` apply\n project-wide include paths, install rules, and the\n `$` / `$` generator expressions\n that make targets consumable from both build and install trees.\n- **Consumable from both install tree and build tree.** Preserved via\n `install(EXPORT madness …)` plus\n `export(EXPORT madness FILE ${PROJECT_BINARY_DIR}/madness-targets.cmake)`\n in the top-level `CMakeLists.txt`, and the genex pair in `add_mad_library`.\n Breaks in either path (missing install rules on new targets, hard-coded\n paths outside the genex) are silent regressions for downstream consumers.\n- **Optional dependencies follow the `FindOrFetch*` pattern** (e.g.\n `FindOrFetchCereal.cmake`, `FindOrFetchPARSEC.cmake`): try `find_package`\n first, fall back to `FetchContent`. Harness mantra: use preexisting deps\n when available, build from source otherwise — except for the most basic\n (MPI, BLAS), which must be found on the system.\n- **Component libraries** (`MADworld`, `MADmra`, `MADtensor`, `MADchem`, …)\n are the public link targets. The aggregate `madness` library is composed\n from per-component object libraries (`MADworld-obj`, etc.), which (a) lets\n downstream projects pull a lean subset via `MADNESS_BUILD_MADWORLD_ONLY` /\n `MADNESS_BUILD_LIBRARIES_ONLY`, and (b) lets developers build a single\n component quickly without its prerequisites — useful for shorter build\n tests during iteration.\n- **`CMAKE_FIND_NO_INSTALL_PREFIX=ON`** is set as a safety net so\n `find_package` doesn't pick up a stale installed copy during development.\n\n### Commit messages\n\nWrite plain commit messages describing the change. **Do not append\n`Co-Authored-By: …` trailers crediting AI tooling** (Claude, Copilot,\nCodex, etc.). This project does not credit tooling in commit metadata —\nthe same way it doesn't credit the editor, compiler, or the vast body\nof prior work the tooling was trained on.\n\n## Consumer-facing invariants\n\nMADNESS is consumed by external projects — TiledArray leans on the parallel\nruntime (`src/madness/world`), MPQC leans on MRA (`src/madness/mra`). When\nediting in either area, preserve these invariants; they are not enforced at\ncompile time and breakage surfaces far downstream.\n\n### Runtime (`src/madness/world`)\n\n- `madness::initialize` must bracket all `World` / MPI use; `madness::finalize`\n mirrors it. Creating a `World` or submitting tasks outside that window is\n undefined.\n- `World` lifetimes must nest — destroy in reverse creation order.\n- `WorldObject` and `WorldContainer` require collective construction: every\n rank in the enclosing `World` must create the same object in the same order.\n- Active-message handlers (`World::am`) run on runtime threads and must not\n block waiting on further tasks or collective ops; post continuations instead.\n- **MPI is initialized at `MPI_THREAD_MULTIPLE`** — the only level tested\n today, and required because tasks can spawn further (possibly remote)\n tasks. This also constrains MPI-implementation choice: some MPI stacks\n have performance cliffs under `THREAD_MULTIPLE`.\n- **Use `SafeMPI` / `World::mpi` for every MPI call; never raw `MPI_*`.**\n Three reasons: automated error checking; optional serialization fallback\n when the MPI implementation is not reliably thread-safe; and the\n `ENABLE_MPI=OFF` build replaces MPI with `stubmpi.h`, which only declares\n the subset of MPI that `SafeMPI` uses — raw MPI calls won't compile there.\n- **Never call MPI blocking collectives.** They park the calling thread\n outside the task scheduler and can deadlock progress. Use MADNESS global\n ops (`World::gop`) — non-blocking, composable with the runtime, and they\n serialize user types via `madness::archive`.\n- `madness::archive` is the public serialization extension point — downstream\n code teaches `Future`, `WorldContainer`, and AM payloads to transport custom\n types by specializing archive traits, not by reaching into internals.\n- Outside tasks and the main thread, assume nothing in the runtime is\n thread-safe unless the header documents it.\n- **Prefer explicit `World&` parameters** over `World::get_default()` in any\n new API. TiledArray builds with `-DMADNESS_DISABLE_WORLD_GET_DEFAULT=ON`\n to surface code that implicitly assumes the default World; MADNESS itself\n is laxer, but APIs written to accept an explicit `World&` work in both\n settings. App-level code may use the default where it is clearly the top\n level.\n\n### MRA (`src/madness/mra`)\n\n- `madness::startup(world, argc, argv, quiet)` is the **MRA** initializer —\n loads twoscale coefficients, autocorrelation data, and populates\n `FunctionDefaults`. It must be called after `madness::initialize` and\n before constructing any `Function` or MRA operator. Runtime-only\n (MADWorld) code does not need it.\n- `Function` is a **shallow-copy handle** to a distributed\n implementation — Python-like reference semantics, *not* copy-on-write.\n `Function b = a;` shares the impl; mutations through `b` are observed\n through `a`.\n- `Function` operations enqueue **async** tasks. Results are not observable\n until an implicit fence (an observing op such as `norm2`, `trace`, `inner`)\n or an explicit `world.gop.fence()`.\n- `Function` carries a `TreeState` (`reconstructed`, `compressed`,\n `nonstandard`, `redundant`, …). Many operations assert on state — use\n `change_tree_state` / `reconstruct` / `compress` rather than assuming.\n- Prefer the vectorized forms in `src/madness/mra/vmra.h`\n (`std::vector` arithmetic, `apply`, inner products, …) over\n hand-written loops over individual `Function`s — this is the canonical\n idiom and the overhead is negligible.\n- `FunctionDefaults` is process-global mutable state (`k`, `thresh`,\n cell, boundary conditions). Set it before constructing any `Function`;\n changing it mid-run will not retroactively update existing functions.\n- `SeparatedConvolution` operators are tied to a specific `k`, box size, and\n threshold — reuse one across `Function`s built with different defaults and\n results are undefined.\n- Drive mutation from tasks or the main thread; don't mutate `Function`s\n from arbitrary user threads.\n- **Checkpointing.** `Function::save` / `Function::load` go through\n `ParallelOutputArchive` / `ParallelInputArchive` (binary fstream under the\n hood). `FunctionDefaults` must match between save and load — same\n cell, `k`, `thresh`, and boundary conditions — or `load` throws. There\n is no migration path.\n\nFor API depth, see the Doxygen groups rather than restating signatures here.\n\n## Lint\n\nA `.clang-tidy` configuration is checked in. Run `clang-tidy` against\nchanged translation units before finishing non-trivial C++ edits.\n\n## Debugging aids\n\n- Memory profiling of `FunctionImpl` objects is always available via\n `MemoryMeasurer::measure_and_print(world)`.\n- `-DENABLE_MEM_STATS=ON` and `-DENABLE_TENSOR_INSTANCE_COUNT=ON` provide\n coarser, always-on counters for leak hunting (see `INSTALL.md`).\n\n## Reviewing a PR\n\nGuidance for agents doing PR review — focused on regressions CI won't\ncatch because its matrix is narrow. Flag these; don't nitpick style\n(`.clang-tidy` is the source of truth).\n\n- **Raw MPI calls.** Anything added outside `SafeMPI` / `World::mpi`\n breaks `-DENABLE_MPI=OFF` and bypasses error checking / thread-safety\n serialization.\n- **Blocking MPI collectives** (`MPI_Barrier`, `MPI_Allreduce`, …).\n Push toward `World::gop`.\n- **Implicit default World.** `World::get_default()` in library code\n breaks downstream builds (notably TiledArray's\n `-DMADNESS_DISABLE_WORLD_GET_DEFAULT=ON`). Push for an explicit\n `World&` parameter.\n- **Non-collective construction** of `WorldObject` / `WorldContainer`,\n or any code path where ranks can diverge on construction order.\n- **Threaded-BLAS assumptions** (parallel loops around `gemm`, relying\n on BLAS threading for speed).\n- **`Function` mutation from user threads** (not tasks or the main\n thread) or mis-handled `TreeState` preconditions.\n- **Checkpoint-format breaks.** Any change to what `Function::save`\n writes, or to `FunctionDefaults` fields consumed by `load`, is a\n silent compat break — call it out.\n- **Tensor-layer changes without GENTENSOR coverage.** CI only tests\n one GENTENSOR cell; ask the author to verify with\n `-DENABLE_GENTENSOR=ON` locally if the change could affect the\n compressed-tensor path.\n\n## Documentation\n\nDeveloper API docs are generated by Doxygen and published at\n. User-facing docs live at\n.\n" }, { "path": "CMakeLists.txt", "content": "cmake_minimum_required (VERSION 3.12.0) # for FindPython\n\nif(NOT CMAKE_BUILD_TYPE)\n set(CMAKE_BUILD_TYPE Release)\nendif()\n\n## I know this is obnoxious but I don't know any other way to keep\n## things clean. Make the build verbose so that people see the warning\n## messages and fix the issues --- some of them are real\n#set(CMAKE_VERBOSE_MAKEFILE ON CACHE BOOL \"ON\")\n\n# safety net for dev workflow: accidental install will not affect FindOrFetch*\nif (NOT DEFINED CACHE{CMAKE_FIND_NO_INSTALL_PREFIX})\n set(CMAKE_FIND_NO_INSTALL_PREFIX ON CACHE BOOL \"Whether find_* commands will search CMAKE_INSTALL_PREFIX and CMAKE_STAGING_PREFIX; see https://cmake.org/cmake/help/latest/variable/CMAKE_FIND_NO_INSTALL_PREFIX.html#variable:CMAKE_FIND_NO_INSTALL_PREFIX\")\nendif()\n\n# Set MADNESS version\nset(MADNESS_MAJOR_VERSION 0)\nset(MADNESS_MINOR_VERSION 10)\nset(MADNESS_MICRO_VERSION 1)\nset(MADNESS_VERSION \"${MADNESS_MAJOR_VERSION}.${MADNESS_MINOR_VERSION}.${MADNESS_MICRO_VERSION}\")\n\n# Declare ourselves ============================================================\n\nproject(MADNESS\n VERSION ${MADNESS_VERSION}\n DESCRIPTION \"MADNESS: fast, adaptive multiresolution integrodifferential calculus in 1..6 dimensions\"\n LANGUAGES CXX C ASM\n HOMEPAGE_URL \"https://madness.readthedocs.io/\")\n\n# Add source directory =========================================================\n\nadd_definitions(-DMAD_ROOT_DIR=\"${PROJECT_SOURCE_DIR}\")\n\n# Add module directory and modules =============================================\n\nlist(APPEND CMAKE_MODULE_PATH \"${PROJECT_SOURCE_DIR}/cmake/modules/\")\ninclude(AddCustomTargetSubproject)\ninclude(AddOptions)\ninclude(AppendFlags)\ninclude(CheckIncludeFile)\ninclude(CheckTypeSize)\ninclude(CheckCXXSourceCompiles)\ninclude(CheckFunctionExists)\ninclude(CMakeDependentOption)\ninclude(AddMADLibrary)\ninclude(AddMADExecutable)\ninclude(AddUnittests)\ninclude(AddMPITests)\ninclude(AddScriptedTests)\ninclude(CMakePackageConfigHelpers)\ninclude(CopyTargetProperties)\ninclude(FeatureSummary)\ninclude(RedefaultableOption)\ninclude(FetchContent)\n\n# Check compiler feature support ===============================================\n\nset(CMAKE_CXX_STANDARD 17 CACHE STRING \"C++ ISO Standard version\")\nif (NOT(CMAKE_CXX_STANDARD EQUAL 17 OR CMAKE_CXX_STANDARD EQUAL 20))\n message(FATAL_ERROR \"C++ 2017 ISO Standard or higher is required to compile MADNESS\")\nendif()\n# C++20 is only configurable via compile features with cmake 3.12 and older\nif (CMAKE_CXX_STANDARD EQUAL 20 AND CMAKE_VERSION VERSION_LESS 3.12.0)\n message(FATAL_ERROR \"C++ 2020 ISO Standard requires CMake version 3.12 or higher\")\nendif()\nset(CMAKE_CXX_STANDARD_REQUIRED ON)\nset(CMAKE_CXX_EXTENSIONS OFF CACHE BOOL \"Whether to use extensions of C++ ISO Standard version\")\n\n# workaround for cmake bug: CheckCXXSourceCompiles does not respect CXX_STANDARD\n# see https://github.com/OPM/opm-common/blob/master/cmake/Modules/FindCXX11Features.cmake\nadd_options(CXX ALL_BUILDS ${CMAKE_CXX${CMAKE_CXX_STANDARD}_STANDARD_COMPILE_OPTION})\n\n# Set install paths ============================================================\ninclude(GNUInstallDirs)\nset(MADNESS_INSTALL_BINDIR \"${CMAKE_INSTALL_BINDIR}\"\n CACHE PATH \"MADNESS BIN install directory\")\nset(MADNESS_INSTALL_INCLUDEDIR \"${CMAKE_INSTALL_INCLUDEDIR}\"\n CACHE PATH \"MADNESS INCLUDE install directory\")\nset(MADNESS_INSTALL_LIBDIR \"${CMAKE_INSTALL_LIBDIR}\"\n CACHE PATH \"MADNESS LIB install directory\")\nset(MADNESS_INSTALL_DATADIR \"${CMAKE_INSTALL_DATAROOTDIR}/madness/${MADNESS_VERSION}/data\"\n CACHE PATH \"MADNESS DATA install directory\")\nset(MADNESS_INSTALL_DOCDIR \"${CMAKE_INSTALL_DATAROOTDIR}/madness/${MADNESS_VERSION}/doc\"\n CACHE PATH \"MADNESS DOC install directory\")\nset(MADNESS_INSTALL_CMAKEDIR \"${CMAKE_INSTALL_LIBDIR}/cmake/madness\"\n CACHE PATH \"MADNESS CMAKE install directory\")\n\n# Build options ==============================================================\n\nredefaultable_option(MADNESS_BUILD_LIBRARIES_ONLY \"Build only MADNESS libraries\" OFF)\nif (NOT MADNESS_BUILD_LIBRARIES_ONLY)\n redefaultable_option(MADNESS_BUILD_MADWORLD_ONLY \"Build only MADWorld runtime (excluding BLAS/LAPACK interfaces)\" OFF)\nendif()\nredefaultable_option(MADNESS_ENABLE_CEREAL \"Support use of Cereal archives as backends for MADNESS serialization\" OFF)\n\n# Enable optional libraries ====================================================\n\n# Preload versions/tags of all dependencies ====================================\ninclude(external/versions.cmake)\n\n# Always search for libraries that are 'ON' by default. If a library is not\n# found, it is disabled without error. If the library is 'OFF' by default,\n# failure to find the library is an error. \n\noption(ENABLE_MPI \"Enable Message Passing Interface (MPI) Library\" ON)\n#redefaultable_option(ENABLE_MKL \"Search for Intel Math Kernel Library (MKL) for BLAS and LAPACK support\" ON)\noption(ENABLE_MKL \"Search for Intel Math Kernel Library (MKL) for BLAS and LAPACK support\" ON)\noption(ENABLE_ACML \"Search for AMD Core Math Library (ACML) for BLAS and LAPACK support\" ON)\noption(ENABLE_TCMALLOC_MINIMAL \"Enable use of tcmalloc_minimal library from Google Performance Tools (gperftools)\" OFF)\noption(ENABLE_GPERFTOOLS \"Enable use of full Google Performance Tools (gperftools)\" OFF)\noption(ENABLE_LIBUNWIND\n \"Forces detection (and possible use) of Libunwind (normally Libunwind will be sought automatically if needed)\"\n OFF)\noption(ENABLE_PAPI \"Enables use of PAPI\" OFF)\noption(ENABLE_LIBXC \"Enables use of the libxc library of density functionals\" ON)\noption(ENABLE_PCM \"Enables use of the polarizable continuum model library\" ON)\noption(ENABLE_INTEGRATORXX \"Enables use of the IntegratorXX for building DFT quadrature grids\" ON)\noption(ENABLE_PYTHON \"Enables Python bindings via pybind11\" OFF)\n\nset(CMAKE_REQUIRED_LIBRARIES ${LAPACK_LIBRARIES})\ncheck_cxx_source_compiles(\n \"\n namespace madness {\n template \n void mTxmq(long dimi, long dimj, long dimk,\n\t\t T* __restrict__ c, const T* a, const T* b, long ldb=-1);\n\n template <>\n void mTxmq(long dimi, long dimj, long dimk, double* __restrict__ c, const double* a, const double* b, long ldb);\n }\n int main() { double a[1], b[1], c[1]; madness::mTxmq(1,1,1,c,a,b,1); return 0; }\n \" HAVE_MTXMQ)\n\n ####### preferred task backend\nset(MADNESS_TASK_VALID_BACKENDS Pthreads TBB PaRSEC)\nset(MADNESS_TASK_BACKEND Pthreads CACHE STRING \"The backend to use for dispatching tasks\")\nset_property(CACHE MADNESS_TASK_BACKEND PROPERTY STRINGS ${MADNESS_TASK_VALID_BACKENDS})\n\nif (DEFINED MADNESS_TASK_BACKEND)\n if(NOT MADNESS_TASK_BACKEND IN_LIST MADNESS_TASK_VALID_BACKENDS)\n message(FATAL_ERROR \"MADNESS_TASK_BACKEND must be one of ${MADNESS_TASK_VALID_BACKENDS}\")\n endif()\n if (MADNESS_TASK_BACKEND STREQUAL TBB)\n set(ENABLE_TBB ON)\n else()\n set(ENABLE_TBB OFF)\n endif()\n if (MADNESS_TASK_BACKEND STREQUAL PaRSEC)\n set(ENABLE_PARSEC ON)\n else()\n set(ENABLE_PARSEC OFF)\n endif()\nelse (DEFINED MADNESS_TASK_BACKEND)\n redefaultable_option(ENABLE_TBB \"Enables use of Intel Thread Building Blocks (TBB) as the task scheduler\" OFF)\n option(ENABLE_PARSEC \"Enables use of PaRSEC as the task scheduler\" OFF)\n if(ENABLE_PARSEC AND ENABLE_TBB)\n message(FATAL_ERROR \"TBB and PaRSEC cannot be both enabled.\")\n endif()\nendif(DEFINED MADNESS_TASK_BACKEND)\nif (ENABLE_TBB)\n redefaultable_option(MADNESS_EXPLOIT_TBB_PRIORITY \"Enables use of Intel TBB task priorities\" OFF)\nendif(ENABLE_TBB)\n\noption(ENABLE_ELEMENTAL \"Enable Elemental library for distributed-memory linear algebra\" OFF)\nif (ENABLE_ELEMENTAL)\n if (DEFINED ELEMENTAL_TAG)\n if(\"${ELEMENTAL_TAG}\" STREQUAL \"\")\n message(FATAL_ERROR \"Invalid value given for ELEMENTAL_TAG; specify a valid hash or tag.\")\n endif()\n message(STATUS \"Will compile Elemental source (tag=${ELEMENTAL_TAG}) in the build directory\")\n set(ENABLE_ELEMENTAL_EMBEDDED OFF)\n set(MADNESS_HAS_ELEMENTAL_EMBEDDED 0)\n else (DEFINED ELEMENTAL_TAG)\n message(STATUS \"Will use the embedded Elemental source(tag=v0.84)\")\n set(ENABLE_ELEMENTAL_EMBEDDED ON)\n set(MADNESS_HAS_ELEMENTAL_EMBEDDED 1)\n endif (DEFINED ELEMENTAL_TAG)\n set(MADNESS_HAS_ELEMENTAL 1)\nelse (ENABLE_ELEMENTAL)\n set(MADNESS_HAS_ELEMENTAL 0)\nendif (ENABLE_ELEMENTAL)\nadd_feature_info(Elemental ENABLE_ELEMENTAL \"compiles parallel linear-algebra library Elemental as part of MADNESS\")\n\noption(ENABLE_BOOST \"Enable C++ Boost Libraries\" OFF)\n\n# Configure options ============================================================\n\noption(ENABLE_GENTENSOR \"Enable generic tensor support\" OFF)\nadd_feature_info(GENTENSOR ENABLE_GENTENSOR \"enables use of MRA Function compression that allows computing in 6 dimensions\")\nset(MADNESS_USE_GENTENSOR ${ENABLE_GENTENSOR} CACHE BOOL\n \"enables use of MRA Function compression that allows computing in 6 dimensions\")\n\nif(ENABLE_GENTENSOR)\n add_definitions(-DUSE_GENTENSOR)\nendif()\nset(TENSOR_USE_GENTENSOR ${ENABLE_GENTENSOR} CACHE BOOL \"enable generic tensors\")\n\noption(ENABLE_TASK_PROFILER\n \"Enable task profiler that collects per-task start and stop times.\" OFF)\nadd_feature_info(TASK_PROFILER ENABLE_TASK_PROFILER \"supports task-level tracing of program execution\")\nset(MADNESS_TASK_PROFILING ${ENABLE_TASK_PROFILER} CACHE BOOL\n \"Enable task profiler that collects per-task start and stop times.\")\n\noption(ENABLE_WORLD_PROFILE \"Enables profiling\" OFF)\nadd_feature_info(WORLD_PROFILE ENABLE_WORLD_PROFILE \"supports simple profiling of MADworld runtime\")\nset(WORLD_PROFILE_ENABLE ${ENABLE_WORLD_PROFILE} CACHE BOOL \n \"Enables world profiling\")\n\noption(ENABLE_MEM_STATS \"Gather fine-grained memory statistics (expensive)\" OFF)\nadd_feature_info(MEM_STATS ENABLE_MEM_STATS \"gather fine-grained memory statistics (expensive)\")\nset(WORLD_GATHER_MEM_STATS ${ENABLE_MEM_STATS} CACHE BOOL \"Gather fine-grained memory statistics (expensive)\")\n\noption(ENABLE_MEM_PROFILE \"Turn on instrumented aggregate memory profiling (print_meminfo)\" OFF)\nadd_feature_info(MEM_PROFILE ENABLE_MEM_PROFILE \"instrumented aggregate memory profiling\")\nset(WORLD_MEM_PROFILE_ENABLE ${ENABLE_MEM_PROFILE} CACHE BOOL \"Turn on instrumented aggregate memory profiling (print_meminfo)\")\n\noption(ENABLE_TENSOR_BOUNDS_CHECKING\n \"Enable checking of bounds in tensors ... slow but useful for debugging\" OFF)\nadd_feature_info(TENSOR_BOUNDS_CHECKING ENABLE_TENSOR_BOUNDS_CHECKING\n \"Enable checking of bounds in tensors ... slow but useful for debugging\")\nset(TENSOR_BOUNDS_CHECKING ${ENABLE_TENSOR_BOUNDS_CHECKING} CACHE BOOL\n \"Enable checking of bounds in tensors ... slow but useful for debugging\")\n\noption(ENABLE_TENSOR_INSTANCE_COUNT\n \"Enable counting of allocated tensors for memory leak detection\" OFF)\nadd_feature_info(TENSOR_INSTANCE_COUNT ENABLE_TENSOR_INSTANCE_COUNT\n \"Enable counting of allocated tensors for memory leak detection\")\nset(TENSOR_INSTANCE_COUNT CACHE BOOL\n \"Enable counting of allocated tensors for memory leak detection\")\n\noption(ENABLE_SPINLOCKS\n \"Enables use of spinlocks instead of mutexes (faster unless over subscribing processors)\" ON)\nadd_feature_info(SPINLOCKS ENABLE_SPINLOCKS\n \"Enables use of spinlocks instead of mutexes (faster unless over subscribing processors)\")\nset(USE_SPINLOCKS ${ENABLE_SPINLOCKS} CACHE BOOL\n \"Enables use of spinlocks instead of mutexes (faster unless over subscribing processors)\")\n\noption(ENABLE_NEVER_SPIN\n \"Disables use of spinlocks (notably for use inside virtual machines)\" OFF)\nadd_feature_info(NEVER_SPIN ENABLE_NEVER_SPIN\n \"Disables use of spinlocks (notably for use inside virtual machines)\")\nset(NEVER_SPIN ${ENABLE_NEVER_SPIN} CACHE BOOL\n \"Disables use of spinlocks (notably for use inside virtual machines)\")\n\noption(ENABLE_DQ_PREBUF\n \"Enables thread-local buffer for task aggregation to reduce lock contention\" ON)\nadd_feature_info(DQ_PREBUF ENABLE_DQ_PREBUF\n \"Enables thread-local buffer for task aggregation to reduce lock contention\")\nset(MADNESS_DQ_USE_PREBUF ${ENABLE_DQ_PREBUF} CACHE BOOL\n \"Enables thread-local buffer for task aggregation to reduce lock contention\")\n\nset(MADNESS_DQ_PREBUF_SIZE 20 CACHE STRING \"Number of entries in the thread-pool prebuffer for task aggregation to reduce lock contention\")\n\noption(ENABLE_BSEND_ACKS \n \"Use MPI Send instead of MPI Bsend for huge message acknowledgements\" ON)\nadd_feature_info(BSEND_ACKS ENABLE_BSEND_ACKS\n \"Use MPI Send instead of MPI Bsend for huge message acknowledgements\")\nset(MADNESS_USE_BSEND_ACKS ${ENABLE_BSEND_ACKS} CACHE BOOL\n \"Use MPI Send instead of MPI Bsend for huge message acknowledgements\")\n\noption(DISABLE_WORLD_GET_DEFAULT \"Disables World::get_default()\" OFF)\nadd_feature_info(WORLD_GET_DEFAULT_DISABLE DISABLE_WORLD_GET_DEFAULT \"Disables World::get_default()\")\nset(WORLD_GET_DEFAULT_DISABLED ${DISABLE_WORLD_GET_DEFAULT} CACHE BOOL \n \"Disables World::get_default()\")\n\noption(ENABLE_TASK_DEBUG_TRACE\n \"Enable task debug tracing.\" OFF)\nadd_feature_info(TASK_DEBUG_TRACE ENABLE_TASK_DEBUG_TRACE \"supports debug trace of task engine\")\nset(MADNESS_TASK_DEBUG_TRACE ${ENABLE_TASK_DEBUG_TRACE} CACHE BOOL\n \"Enable task debug tracing.\")\n\noption(ENABLE_WORLDOBJECT_FUTURE_TRACE\n \"Enable tracing of futures assicuated with WorldObjects.\" OFF)\nadd_feature_info(WORLDOBJECT_FUTURE_TRACE ENABLE_WORLDOBJECT_FUTURE_TRACE \"supports tracing of futures associated with WorldObjects\")\nset(MADNESS_WORLDOBJECT_FUTURE_TRACE ${ENABLE_WORLDOBJECT_FUTURE_TRACE} CACHE BOOL\n \"Enable tracing of futures assicuated with WorldObjects.\")\n\nset(FORTRAN_INTEGER_SIZE 4 CACHE STRING \"The fortran integer size (4 or 8 bytes) used for BLAS and LAPACK function calls\")\nif(NOT (FORTRAN_INTEGER_SIZE EQUAL 4 OR FORTRAN_INTEGER_SIZE EQUAL 8))\n message(FATAL_ERROR \"Incorrect fortran integer size '${FORTRAN_INTEGER_SIZE}'\\n\"\n \"FORTRAN_INTEGER_SIZE must be equal to 4 or 8\")\nendif()\nadd_feature_info(\"FORTRAN_INTEGER_SIZE=${FORTRAN_INTEGER_SIZE}\" TRUE \"assumes Fortran integers to be ${FORTRAN_INTEGER_SIZE} bytes long\")\n\nif (CMAKE_BUILD_TYPE STREQUAL Release OR\n CMAKE_BUILD_TYPE STREQUAL MinSizeRel)\n set (DEFAULT_ASSERTION_TYPE \"disable\")\nelse ()\n set (DEFAULT_ASSERTION_TYPE \"assert\")\nendif()\nset(ASSERTION_TYPE ${DEFAULT_ASSERTION_TYPE} CACHE STRING \"Define MADNESS assertion behavior (abort|assert|disable|throw)\")\nif(ASSERTION_TYPE STREQUAL \"abort\")\n set(MADNESS_ASSERTIONS_ABORT 1)\nelseif(ASSERTION_TYPE STREQUAL \"assert\")\n set(MADNESS_ASSERTIONS_ASSERT 1)\nelseif(ASSERTION_TYPE STREQUAL \"disable\")\n set(MADNESS_ASSERTIONS_DISABLE 1)\nelseif(ASSERTION_TYPE STREQUAL \"throw\")\n set(MADNESS_ASSERTIONS_THROW 1)\nelse()\n message(WARNING \"Unsupported ASSERTION_TYPE '${ASSERTION_TYPE}'\")\n set(ASSERTION_TYPE \"throw\")\n set(MADNESS_ASSERTIONS_THROW 1)\nendif()\nmessage(STATUS \"Assertion type: ${ASSERTION_TYPE}\")\nadd_feature_info(\"ASSERTION_TYPE=${ASSERTION_TYPE}\" TRUE \"controls how MADNESS assertions (MADNESS_ASSERT) are handled\")\n\nset(MPI_THREAD \"multiple\" CACHE STRING \"Thread level for MPI (multiple|serialized)\")\nif(MPI_THREAD STREQUAL \"multiple\")\n set(MADNESS_MPI_THREAD_LEVEL \"MPI_THREAD_MULTIPLE\")\nelseif(MPI_THREAD STREQUAL \"serialized\")\n set(MADNESS_MPI_THREAD_LEVEL \"MPI_THREAD_SERIALIZED\")\n if (ENABLE_ELEMENTAL)\n message (FATAL_ERROR \"Use of Elemental precludes MPI_THREAD=serialized, must use MPI_THREAD=multiple\")\n endif (ENABLE_ELEMENTAL)\nelse()\n message(FATAL_ERROR \"Invalid value for MPI_THREAD '${MPI_THREAD}'; valid values are 'multiple' or 'serialized'\")\nendif()\nadd_feature_info(\"MPI_THREAD=${MPI_THREAD}\" TRUE \"controls the level of thread-safety support in MPI\")\n\n# Enable support for shared libraries ==========================================\n\nredefaultable_option(MADNESS_ASSUMES_ASLR_DISABLED \"MADNESS runtime assumes the Address Space Layout Randomization (ASLR) to be disabled\" OFF)\nadd_feature_info(ASSUMES_ASLR_DISABLED MADNESS_ASSUMES_ASLR_DISABLED\n \"MADNESS runtime assumes the Address Space Layout Randomization (ASLR) to be disabled\")\nget_property(SUPPORTS_SHARED GLOBAL PROPERTY TARGET_SUPPORTS_SHARED_LIBS)\nif (SUPPORTS_SHARED AND MADNESS_ASSUMES_ASLR_DISABLED)\n set(default_BUILD_SHARED_LIBS ON)\nelse ()\n set(default_BUILD_SHARED_LIBS OFF)\nendif()\nredefaultable_option(BUILD_SHARED_LIBS \"Enable shared libraries\" default_BUILD_SHARED_LIBS)\nif (BUILD_SHARED_LIBS OR NOT MADNESS_ASSUMES_ASLR_DISABLED)\n set(default_CMAKE_POSITION_INDEPENDENT_CODE ON)\nelse ()\n set(default_CMAKE_POSITION_INDEPENDENT_CODE OFF)\nendif()\nredefaultable_option(CMAKE_POSITION_INDEPENDENT_CODE \"Default value for POSITION_INDEPENDENT_CODE of targets\" default_CMAKE_POSITION_INDEPENDENT_CODE)\n\nif(BUILD_SHARED_LIBS)\n set(BLA_STATIC_DEFAULT FALSE)\n set(CMAKE_MACOSX_RPATH TRUE)\nelse(BUILD_SHARED_LIBS)\n set(BLA_STATIC_DEFAULT TRUE)\n set(CMAKE_MACOSX_RPATH FALSE)\nendif(BUILD_SHARED_LIBS)\nif (NOT DEFINED BLA_STATIC)\n set(BLA_STATIC ${BLA_STATIC_DEFAULT})\nendif()\n\nset(CMAKE_SKIP_RPATH FALSE)\nset(CMAKE_SKIP_BUILD_RPATH FALSE)\nset(CMAKE_SKIP_INSTALL_RPATH FALSE)\n\n# Get host and platform information ============================================\n\nif(CMAKE_SYSTEM_NAME MATCHES \"Darwin\")\n set(ON_A_MAC 1)\n # look for frameworks and appbundles last\n set(CMAKE_FIND_FRAMEWORK LAST)\n set(CMAKE_FIND_APPBUNDLE LAST)\nendif()\n\nif (NOT DEFINED MADNESS_CONFIGURATION_USER)\n if($ENV{USERNAME})\n set(MADNESS_CONFIGURATION_USER \"$ENV{USERNAME}\" CACHE INTERNAL \"\")\n elseif($ENV{USER})\n set(MADNESS_CONFIGURATION_USER \"$ENV{USER}\" CACHE INTERNAL \"\")\n else()\n set(MADNESS_CONFIGURATION_USER \"$ENV{USER}\" CACHE INTERNAL \"\")\n endif()\nendif (NOT DEFINED MADNESS_CONFIGURATION_USER)\nif (NOT DEFINED MADNESS_CONFIGURATION_HOST)\n cmake_host_system_information(RESULT madness_configuration_host QUERY HOSTNAME)\n set(MADNESS_CONFIGURATION_HOST \"${madness_configuration_host}\" CACHE INTERNAL \"\")\nendif (NOT DEFINED MADNESS_CONFIGURATION_HOST)\nif (NOT DEFINED MADNESS_CONFIGURATION_DATE)\n string(TIMESTAMP madness_configuration_date)\n set(MADNESS_CONFIGURATION_DATE \"${madness_configuration_date}\" CACHE INTERNAL \"\")\nendif (NOT DEFINED MADNESS_CONFIGURATION_DATE)\n\nset(MAD_BIND_DEFAULT \"OFF\" CACHE STRING \"The default binding for threads\")\n\n# Check if the target platform is CRAY XE\ncheck_cxx_source_compiles(\n \"\n #ifndef __CRAYXE\n #error choke me\n #endif\n int main() { return 0; }\n \" HAVE_CRAYXE)\n# Check if the target platform is CRAY XE\ncheck_cxx_source_compiles(\n \"\n #ifndef __CRAYXT\n #error choke me\n #endif\n int main() { return 0; }\n \" HAVE_CRAYXT)\nif(HAVE_CRAYXE)\n set(AMD_QUADCORE_TUNE ON CACHE BOOL \"Target for tuning mtxmq kernels\")\n set(USE_SPINLOCKS ON CACHE BOOL \n \"Enables use of spinlocks instead of mutexs (faster unless over subscribing processors)\" FORCE)\n set(MAD_BIND_DEFAULT \"1 0 2\" CACHE STRING \"The default binding for threads\" FORCE)\n set(MPI_C_COMPILER cc CACHE STRING \"CRAY MPI C compiler\")\n set(MPI_CXX_COMPILER CC CACHE STRING \"CRAY MPI C++ compiler\")\nendif()\n\n# Check if the target platform is BG/P\ncheck_cxx_source_compiles(\n \"\n #ifndef __bgp__\n #error choke me\n #endif\n int main() { return 0; }\n \" HAVE_IBMBGP)\n\n# Check if the target platform is BG/Q\ncheck_cxx_source_compiles(\n \"\n #ifndef __bgq__\n #error choke me\n #endif\n int main() { return 0; }\n \" HAVE_IBMBGQ)\n\nif(HAVE_IBMBGQ OR HAVE_IBMBGP)\n set(USE_SPINLOCKS ON CACHE BOOL \n \"Enables use of spinlocks instead of mutexs (faster unless over subscribing processors)\" FORCE)\nendif()\n\n\n# Check if the target is x86_64\ncheck_cxx_source_compiles(\n \"\n #if !(defined(__x86_64__) || defined(_M_X64))\n #error Not x86_64\n #endif\n int main() { return 0; }\n \" USE_X86_64_ASM)\n\nif(NOT USE_X86_64_ASM)\n # Check if the target is x86\n check_cxx_source_compiles(\n \"\n #if !(defined(__i386) || defined(_M_IX86))\n #error Not x86\n #endif\n int main() { return 0; }\n \" USE_X86_32_ASM)\nendif()\n\n# (try to) determine C++ ABI\n# ABI kinds are named as in https://clang.llvm.org/doxygen/classclang_1_1TargetCXXABI.html\n# we only need ABI for serializing member pointers, hence all ARM-based ABIs are represented by same kind\nset(MADNESS_CXX_ABI_GenericItanium 1)\nset(MADNESS_CXX_ABI_GenericARM 2)\nset(MADNESS_CXX_ABI_Microsoft 3)\nif (NOT CMAKE_SYSTEM_PROCESSOR)\n set(processor_name ${CMAKE_HOST_SYSTEM_PROCESSOR})\nelse(NOT CMAKE_SYSTEM_PROCESSOR)\n set(processor_name ${CMAKE_SYSTEM_PROCESSOR})\nendif(NOT CMAKE_SYSTEM_PROCESSOR)\nif(processor_name MATCHES \"^(aarch64.*|AARCH64.*|arm64.*|ARM64.*)\" OR processor_name MATCHES \"^(arm.*|ARM.*)\" OR processor_name MATCHES \"^(mips.*|MIPS.*)\")\n # on ARM everything, including Windows, targets ARM C++ ABI\n set(MADNESS_CXX_ABI ${MADNESS_CXX_ABI_GenericARM})\nelseif(processor_name MATCHES \"amd64.*|x86_64.*|AMD64.*\" OR processor_name MATCHES \"i686.*|i386.*|x86.*\" OR processor_name MATCHES \"^(powerpc|ppc)64le\" OR processor_name MATCHES \"^(powerpc|ppc)64\")\n if (CMAKE_SYSTEM_NAME STREQUAL Windows) # on x86 Windows all compilers (clang, intel) target Windows C++ ABI\n set(MADNESS_CXX_ABI ${MADNESS_CXX_ABI_Microsoft})\n else (CMAKE_SYSTEM_NAME STREQUAL Windows) # everyone else uses Itanium C++ ABI\n set(MADNESS_CXX_ABI ${MADNESS_CXX_ABI_GenericItanium})\n endif (CMAKE_SYSTEM_NAME STREQUAL Windows)\nelse()\n message(FATAL_ERROR \"Cannot determine C++ ABI for CMAKE_SYSTEM_PROCESSOR=${CMAKE_SYSTEM_PROCESSOR}, please file an issue\")\nendif()\n\n# Check compiler feature support ===============================================\n\n# Check for system include files\ncheck_include_file(sys/stat.h HAVE_SYS_STAT_H)\ncheck_include_file(sys/types.h HAVE_SYS_TYPES_H)\ncheck_include_file(unistd.h HAVE_UNISTD_H)\ncheck_include_file(sys/resource.h HAVE_RESOURCE_H)\nif(MADNESS_TASK_PROFILING)\n check_include_file(execinfo.h HAVE_EXECINFO_H)\n check_include_file(cxxabi.h HAVE_CXXABI_H)\n if(NOT (HAVE_EXECINFO_H AND HAVE_CXXABI_H))\n message(FATAL_ERROR \"Unable to find required header files execinfo.h and/or cxxabi.h\")\n endif()\nendif()\n\n# Check type support\ncheck_type_size(\"int64_t\" HAVE_INT64_T)\ncheck_type_size(\"long double\" HAVE_LONG_DOUBLE)\ncheck_type_size(\"long long\" HAVE_LONG_LONG)\ncheck_cxx_source_compiles(\n \"\n #include \n int main() { typedef pid_t test_t; return 0; }\n \" SYS_TYPES_H_HAS_PID_T)\n\n# Check function support\ncheck_function_exists(fork HAVE_FORK)\ncheck_function_exists(memset HAVE_MEMSET)\ncheck_function_exists(posix_memalign HAVE_POSIX_MEMALIGN)\nif(HAVE_POSIX_MEMALIGN)\n # look for both version of posix_memalign, with and without throw()\n check_cxx_source_compiles(\n \"\n #include \n #include \n extern \\\"C\\\" int posix_memalign(void **memptr, size_t alignment, size_t size) throw();\n int main() { void *m; posix_memalign(&m, 16, 1024); }\n \" CHECK_STDLIB_H_HAS_POSIX_MEMALIGN_THROW)\n if(NOT CHECK_STDLIB_H_HAS_POSIX_MEMALIGN_THROW)\n check_cxx_source_compiles(\n \"\n #include \n #include \n extern \\\"C\\\" int posix_memalign(void **memptr, size_t alignment, size_t size);\n int main() { void *m; posix_memalign(&m, 16, 1024); }\n \" CHECK_STDLIB_H_HAS_POSIX_MEMALIGN)\n endif()\n if(NOT CHECK_STDLIB_H_HAS_POSIX_MEMALIGN_THROW AND NOT CHECK_STDLIB_H_HAS_POSIX_MEMALIGN)\n set(MISSING_POSIX_MEMALIGN_PROTO 1)\n endif()\n\nelse()\n message(WARNING \"posix_memalign NOT FOUND ... enabling override of new/delete ... THIS WILL BE SLOW\")\nendif()\ncheck_function_exists(pow HAVE_POW)\ncheck_function_exists(random HAVE_RANDOM)\ncheck_function_exists(sleep HAVE_SLEEP)\ncheck_function_exists(strchr HAVE_STRCHR)\n# look for both version of posix_memalign, with and without throw()\ncheck_cxx_source_compiles(\n \"\n #include \n #include \n long (*absptr)(long) = &std::abs; \n long a = -1; \n long b = std::abs(a);\n int main() { return 0; }\n \" HAVE_STD_ABS_LONG)\nif(NOT HAVE_STD_ABS_LONG)\n check_cxx_source_compiles(\n \"\n #include \n #include \n long (*labsptr)(long) = &std::labs; \n long a = -1l; \n long b = labs(a);\n int main() { return 0; }\n \" HAVE_LABS)\nendif()\nif(NOT CHECK_STDLIB_H_HAS_POSIX_MEMALIGN_THROW AND NOT CHECK_STDLIB_H_HAS_POSIX_MEMALIGN)\n set(MISSING_POSIX_MEMALIGN_PROTO 1)\nendif()\n\n# Check for thread local storage keyword support.\n# thread_local, __thread , __thread_local, or __declspec(thread)\nif(NOT DEFINED THREAD_LOCAL_KEYWORD)\n foreach(_thread_local_keyword thread_local __thread __thread_local)\n check_cxx_source_compiles(\n \"\n ${_thread_local_keyword} int i = 0;\n int main() { i = 1; return 0; }\n \" THREAD_LOCAL_SUPPORT)\n if(THREAD_LOCAL_SUPPORT AND _thread_local_keyword STREQUAL \"thread_local\")\n message(STATUS \"Thread local keyword: thread_local\")\n unset(THREAD_LOCAL_KEYWORD CACHE)\n break()\n elseif(THREAD_LOCAL_SUPPORT)\n message(STATUS \"Thread local keyword: ${_thread_local_keyword}\")\n set(THREAD_LOCAL_KEYWORD \"${_thread_local_keyword}\"\n CACHE STRING \"thread local storage keyword, 'thread_local' in C++>11\")\n break()\n else()\n unset(THREAD_LOCAL_SUPPORT CACHE)\n endif()\n endforeach()\n \n if(NOT DEFINED THREAD_LOCAL_SUPPORT)\n message(FATAL_ERROR \"Unable to detect mandatory support for thread-local storage\")\n endif()\nendif()\n\n\n# Check for restrict keyword support\n# restrict, __restrict, __restrict__, or _Restrict\nif(NOT DEFINED RESTRICT_KEYWORD)\n foreach(_restrict_keyword restrict __restrict __restrict__ _Restrict)\n check_cxx_source_compiles(\n \"\n int* ${_restrict_keyword} i = nullptr;\n int main() { *i = 1; return 0; }\n \" RESTRICT_SUPPORT)\n if(RESTRICT_SUPPORT AND _restrict_keyword STREQUAL \"restrict\")\n unset(RESTRICT_KEYWORD CACHE)\n break()\n elseif(RESTRICT_SUPPORT)\n set(RESTRICT_KEYWORD \"${_restrict_keyword}\"\n CACHE STRING \"C++ equivialent of the C 'restrict' keyword\")\n break()\n else()\n unset(RESTRICT_SUPPORT CACHE)\n endif()\n endforeach()\n\n if(NOT DEFINED RESTRICT_SUPPORT)\n # Set the restrict keyword to nothing so that it is not used\n set(RESTRICT_KEYWORD \"\"\n CACHE STRING \"C++ equivialent of the C 'restrict' keyword\")\n endif()\n \n # Print restrict keyword search results\n message(STATUS \"Restrict keyword: ${RESTRICT_KEYWORD}\")\nendif()\n\ncheck_cxx_source_compiles(\n \"\n template \n static inline void f(T* a) {};\n template void g(T* a) { f(a); }\n template void g(int* a);\n int main() { return 0; }\n \" HAVE_UNQUALIFIED_STATIC_DECL)\n\n# Check linker feature support ===============================================\n\ninclude(CheckDisablePIESupport)\ncheck_disablepie_support(LINKER_HAS_DISABLEPIE_SUPPORT DISABLEPIE_LINKER_FLAG)\n\n# Check for applications =======================================================\n\nfind_package(Doxygen)\nfind_package(LATEX)\nfind_program(XTERM_EXECUTABLE xterm)\nif(XTERM_EXECUTABLE)\n set(HAVE_XTERM 1)\n message(STATUS \"Found xterm: ${XTERM_EXECUTABLE}\")\nendif()\nfind_program(GDB_EXECUTABLE gdb)\nif(GDB_EXECUTABLE)\n set(HAVE_GDB 1)\n message(STATUS \"Found gdb: ${GDB_EXECUTABLE}\")\nendif()\nfind_program(LLDB_EXECUTABLE lldb)\nif(LLDB_EXECUTABLE)\n set(HAVE_LLDB 1)\n message(STATUS \"Found lldb: ${LLDB_EXECUTABLE}\")\nendif()\n\n# ccache for caching builds\nfind_program(CCACHE ccache)\nif(CCACHE)\n mark_as_advanced(CCACHE)\n message (STATUS \"Found ccache: ${CCACHE}\")\n set(CMAKE_CXX_COMPILER_LAUNCHER \"${CCACHE}\" CACHE STRING \"Compiler launcher to use for compiling C++\")\n set(CMAKE_C_COMPILER_LAUNCHER \"${CCACHE}\" CACHE STRING \"Compiler launcher to use for compiling C\")\nendif(CCACHE)\n\n# Check for external dependencies ==============================================\ninclude(external/pthread.cmake)\ninclude(external/mpi.cmake)\ninclude(external/papi.cmake)\ninclude(external/libunwind.cmake)\ninclude(external/gperftools.cmake)\ninclude(external/tbb.cmake)\ninclude(external/parsec.cmake)\ninclude(external/boost.cmake)\nif (NOT MADNESS_BUILD_MADWORLD_ONLY OR MADNESS_BUILD_LIBRARIES_ONLY)\n include(external/lapack.cmake)\n include(external/libxc.cmake)\n include(external/pcm.cmake)\n include(external/integratorxx.cmake)\nendif ()\ninclude(external/pybind11.cmake)\n\nif (DEFINED ELEMENTAL_TAG)\n include(external/elemental.cmake)\nendif (DEFINED ELEMENTAL_TAG)\n\n# Add project subdirectories ===================================================\n\n# predefine targets\nadd_custom_target(everything)\nadd_dependencies(everything madness)\n\nif(NOT (MADNESS_BUILD_MADWORLD_ONLY OR MADNESS_BUILD_LIBRARIES_ONLY) AND LAPACK_FOUND)\n\tadd_custom_target_subproject(madness numerical-examples)\n\tadd_custom_target_subproject(madness applications)\nendif()\n\n# Create build and install libraries libraries\nadd_custom_target(madness-libraries)\nadd_custom_target(install-madness-libraries)\nadd_dependencies(everything madness-libraries)\n\ninclude_directories(${PROJECT_SOURCE_DIR}/src ${PROJECT_BINARY_DIR}/src)\nset(CMAKE_INCLUDE_CURRENT_DIR_IN_INTERFACE TRUE)\nset(CMAKE_INCLUDE_CURRENT_DIR TRUE)\ninclude(CTest)\nif(BUILD_TESTING)\n set(MADNESS_HAS_GOOGLE_TEST 1)\n add_custom_target_subproject(madness unittests)\n add_custom_target_subproject(madness scripted_tests)\n add_custom_target_subproject(madness check COMMAND ${CMAKE_CTEST_COMMAND} -V -R \"madness/test/\" USES_TERMINAL) # to be GNU compatible\n add_custom_target_subproject(madness check-short COMMAND ${CMAKE_CTEST_COMMAND} -L \\\"short|medium\\\" -V -R \"madness/test/\" USES_TERMINAL) # to be GNU compatible\n add_dependencies(everything unittests)\nendif()\nadd_subdirectory(src)\nadd_subdirectory(doc)\n\n# Generate configure files =====================================================\n\nconfigure_file(\n ${PROJECT_SOURCE_DIR}/cmake/config.h.in\n ${PROJECT_BINARY_DIR}/src/madness/config.h\n)\n\nconfigure_file(\n ${PROJECT_SOURCE_DIR}/cmake/doxygen.cfg.in\n ${PROJECT_BINARY_DIR}/doc/doxygen.cfg\n @ONLY\n)\n\nCONFIGURE_FILE(\n ${PROJECT_SOURCE_DIR}/config/MADNESS.pc.in\n ${PROJECT_BINARY_DIR}/config/MADNESS.pc\n)\n\nCONFIGURE_FILE( \n ${PROJECT_SOURCE_DIR}/admin/conda/Makefile.in\n ${PROJECT_BINARY_DIR}/admin/conda/Makefile\n @ONLY\n)\n\nCONFIGURE_FILE( \n ${PROJECT_SOURCE_DIR}/admin/conda/recipe/build.sh.in\n ${PROJECT_BINARY_DIR}/admin/conda/recipe/build.sh\n @ONLY\n)\n\nCONFIGURE_FILE( \n ${PROJECT_SOURCE_DIR}/admin/conda/recipe/meta.yaml.in\n ${PROJECT_BINARY_DIR}/admin/conda/recipe/meta.yaml\n @ONLY\n)\n\n\n# install config files\ninstall(FILES ${PROJECT_BINARY_DIR}/config/MADNESS.pc\n DESTINATION lib/pkgconfig)\n\n# Install some CMake modules\ninstall(FILES\n \"${PROJECT_SOURCE_DIR}/cmake/modules/FindTBB.cmake\"\n DESTINATION \"${MADNESS_INSTALL_CMAKEDIR}/modules\"\n COMPONENT madness-config)\n\n# Create the version file\nwrite_basic_package_version_file(madness-config-version.cmake\n VERSION ${MADNESS_VERSION} COMPATIBILITY AnyNewerVersion)\n\n# Create the targets file for madness export set\n# N.B. ALL targets end up in madness export set, even if building only madworld\nexport(EXPORT madness FILE \"${PROJECT_BINARY_DIR}/madness-targets.cmake\")\n\n# Create the configure file\nconfigure_package_config_file(cmake/madness-config.cmake.in\n \"${MADNESS_BINARY_DIR}/madness-config.cmake\"\n INSTALL_DESTINATION \"${MADNESS_INSTALL_CMAKEDIR}\"\n PATH_VARS CMAKE_INSTALL_PREFIX MADNESS_INSTALL_BINDIR \n MADNESS_INSTALL_INCLUDEDIR MADNESS_INSTALL_LIBDIR\n MADNESS_INSTALL_DATADIR MADNESS_INSTALL_DOCDIR \n MADNESS_INSTALL_CMAKEDIR)\n\n# Install config, version, and target files\ninstall(EXPORT madness\n \tFILE \"madness-targets.cmake\"\n \tDESTINATION \"${MADNESS_INSTALL_CMAKEDIR}\" \n \tCOMPONENT madness-config)\ninstall(FILES\n \"${MADNESS_BINARY_DIR}/madness-config.cmake\"\n \"${MADNESS_BINARY_DIR}/madness-config-version.cmake\"\n DESTINATION \"${MADNESS_INSTALL_CMAKEDIR}\" \n COMPONENT madness-config)\nadd_custom_target(install-madness-config\n COMMAND ${CMAKE_COMMAND} -DCOMPONENT=madness-config -P ${PROJECT_BINARY_DIR}/cmake_install.cmake\n COMMENT \"Installing MADNESS config components\"\n USES_TERMINAL)\n\n# Add feature info for MPI tests\nif(MADNESS_HAS_MPI_TESTS)\n add_feature_info(\"MPI tests\" MADNESS_HAS_MPI_TESTS \"MPI tests with multiple processes are configured (use MADNESS_MPI_NODE_OPTIONS at runtime to control execution)\")\nendif()\n\nfeature_summary(WHAT ALL\n DESCRIPTION \"=== MADNESS Package/Feature Info ===\")\n\n" }, { "path": "INSTALL.md", "content": "## Introduction\n\nLinux and MacOS are supported with x86, Arm64, and IBM Power processors. GPUs are not yet utilized.\n\nMADNESS uses CMake to configure the build. Assuming that necessary prerequisites (below) are installed on your system in default locations and the source has been downloaded into the directory `/path/to/madness/source`, you can make a directory (outside the source tree) to build in and configure the build as follows\n```\nmkdir build\ncd build\ncmake /path/to/madness/source\nmake applications\n```\nThe default make target builds only the numerical library and underlying runtime. To build applications (e.g., `moldft`, `nemo`) specify either `applications` (for all of them) or the name of the desired application on the make command. The target `everything` does what you expect. You can run executables and use libraries from the build directory, but to install into the default location (`/usr`) use `make install` (after first building the applications).\n\nIf required libraries are not in default locations or if you wish to override defaults, you may have to set CMake cache variables as described below. For instance, to build a debug version, without MPI, and with installation in `/home/me/madinstall`\n```\ncmake -DCMAKE_BUILD_TYPE=Debug -DENABLE_MPI=OFF -DCMAKE_INSTALL_PREFIX=/home/me/madinstall /path/to/madness/source\nmake applications\nmake install\n```\n\n\nBoolean values for cache variables (specified to CMake using the `-DVARIABLE_NAME` notation in the example above) are \nconsidered true if the constant is 1, ON, YES, TRUE, Y, or a non-zero number; or false if the constant is 0, OFF, NO, FALSE, N, or IGNORE.\n\n## Prerequisites\n\nFast BLAS and linear algebra libraries are essential. These must be sequential (single thread) implementations since MADNESS uses tasks/threads for parallelism and invokes the BLAS within a single-threaded task. On X86, we recommend the free [Intel MKL library](https://www.intel.com/content/www/us/en/developer/tools/oneapi/onemkl.html#gs.8bsxug), which is auto detected on all platforms if the environment variable `MKLROOT` is set. On MacOS, the Apple [Accelerate](https://developer.apple.com/documentation/accelerate) framework (installed as part of [Xcode](https://developer.apple.com/xcode/)) is also autodetected. AMD ACML has not been tested in a while but can be enabled with the CMake variables below. Other libraries need to have their link (and possibly also header) paths and flags provided in the CMake variables for the compiler and linker. On ARM, we recommend the ARM performance library available with their optimized LLVM compiler and enabled with the `-armpl`` compiler+linker flag. The OpenBLAS libary for ARM (not on x86) had a major peformance problem when we last tested it in circa 2020 due to a mutex around a memory block shared by all threads (this issue was reported and might be fixed by now).\n\nAn MPI library is required by default, and should be autodected primarily by looking for the `mpicxx` command to compile C++ code with MPI. If you wish to overide this, use the appropriate cmake or environment variables (below). You can also disable use of MPI using `-DENABLE_MPI=OFF` --- in this case you can still use all cores within a shared memory computer.\n\nMADNESS will autodetect the [Intel TBB library](https://www.intel.com/content/www/us/en/developer/tools/oneapi/onetbb.html#gs.8byhgg), which is available for free from Intel or via standard Linux package managers (even on ARM). TBB provides a fast task pool. If this is not detected, MADNESS will employ its own task pool. [PaRSEC](https://icl.utk.edu/parsec/) can also be used (see variables below) but is not recommended unless you are using MADNESS with the [Template Task Graph](https://github.com/TESSEorg/ttg).\n\n### Minimal Ubuntu packages \n\nIf you are using a different distribution, just change the name of the command to install packages.\n\nFrom a vanilla desktop install of Ubuntu (tested with 23.0.4) \n```\n sudo apt install build-essential cmake gcc g++ git intel-mkl mpich \n```\nIf you want to build the documentation then also\n```\n sudo apt install doxygen graphviz texlive\n```\n\n### Minimal MacOS packages\n\nTo be written\n\n\nThe below summarizes some of the most useful CMake variables.\n\n## Compiler variables\n\nThe following CMake cache variables are used to specify the compilers, compiler\nflags, and linker flags.\n\n* CMAKE_C_COMPILER --- C compiler [default=search]\n* CMAKE_CXX_COMPILER --- C++ compiler [default=search]\n* CMAKE_ASM_COMPILER --- Assembly compiler [default=search]\n* MPI_CXX_COMPILER --- MPI C++ compiler wrapper [default=search]\n* MPI_C_COMPILER --- MPI C compiler wrapper [default=search]\n \nYou can specify compile flags with the following variables. These cache variables\nare optional, and it is typically not necessary to specify these variables.\n\n* CMAKE_C_FLAGS --- Compile flags passed to the C compiler\n* CMAKE_CXX_FLAGS --- Compile flags passed to the C++ compiler\n* CMAKE_EXE_LINKER_FLAGS --- Linker flags to be used to create executables.\n* CMAKE_STATIC_LINKER_FLAGS --- Linker flags to be used to create static \n libraries.\n* CMAKE_SHARED_LINKER_FLAGS --- Linker flags to be used to create shared \n libraries.\n\n## Build options\n\nThe following CMake cache variables turn features on and off.\n\n* CMAKE_BUILD_TYPE --- Debug or Release\n* ENABLE_GENTENSOR --- Enable generic tensors; only useful if need\n compressed 6-d tensors, e.g. in MP2 [default=OFF]\n* ENABLE_TASK_PROFILER - Enable task profiler that collects per-task start and \n stop times. [default=OFF]\n* ENABLE_WORLD_PROFILE --- Enables world profiling [default=OFF]\n* ENABLE_MEM_STATS --- Gather memory statistics (expensive) (default=OFF)\n* ENABLE_TENSOR_BOUNDS_CHECKING --- Enable checking of bounds in tensors ... \n slow but useful for debugging [default=OFF]\n* ENABLE_TENSOR_INSTANCE_COUNT --- Enable counting of allocated tensors for \n memory leak detection [default=OFF]\n* ENABLE_SPINLOCKS --- Enables use of spinlocks instead of mutexes (faster \n unless over subscribing processors) [default=ON]\n* ENABLE_NEVER_SPIN --- Disables use of spinlocks (notably for use inside\n virtual machines [default=OFF]\n* ENABLE_BSEND_ACKS --- Use MPI Send instead of MPI Bsend for huge message \n acknowledgements [default=ON]\n* BUILD_TESTING --- Enables unit tests targets [default=ON]\n* FORTRAN_INTEGER_SIZE --- Set the fortran integer size (4 or 8 bytes) used for \n BLAS and LAPACK function calls [default=4]\n* ASSERTION_TYPE --- Define MADNESS assertion behavior\n (abort|assert|disable|throw) [default=throw]\n* MPI_THREAD --- Thread level for MPI (multiple|serialized)\" [default=multiple]\n* BUILD_SHARED_LIBS --- Enable shared libraries. This option is only available\n if the platform supports shared libraries; if that's true and MADNESS_ASSUMES_ASLR_DISABLED is ON (see below) the default is ON,\n otherwise the default is OFF.\n* MADNESS_BUILD_MADWORLD_ONLY --- whether to build the MADNESS runtime only; if `ON`, discovery of BLAS/LAPACK\n and building of numerical components and applications will be disabled [default=`OFF`]\n* MADNESS_BUILD_LIBRARIES_ONLY --- whether to build the MADNESS libraries only; if `ON`,\n building of numerical components and applications will be disabled and\n the value of `MADNESS_BUILD_MADWORLD_ONLY` ignored [default=`OFF`]\n\n## External libraries\n\nThe following CMake cache variables enable the use of external libraries with\nMADNESS. If the WITH_* variable is set to \"ON\" by default, failure to find the\nexternal library is not an error. If you explicitly set a WITH_* variable to \n\"ON\" when the default is set to \"OFF,\" an error will occur if the library is\nnot found.\n\n* CMAKE_PREFIX_PATH - A semicolon seperated list of paths that are used when \n searching for external libraries and dependencies. You may use this CMake\n cache variable to specify the prefix for any of the dependencies, or you\n may specify path for individual components below.\n\n* ENABLE_MPI --- Enable use of MPI, should specify MPI_CXX_COMPILER or MPI_C_COMPILER\n explicitly or have them in PATH; if not found will use StubMPI and\n be limited to 1 process [default=ON]\n\nIn the following section, each optional library privides four variables that\nthe user can use to enable cmake to find the correct dependencies: \n * ENABLE_ --- Enable the library feathres (ON|OFF)\n * _ROOT_DIR --- Prefix path used to search for the external library.\n * _INCLUDE_DIR --- The external library include path. By default the\n include path is ${_ROOT_DIR}/include, if _ROOT_DIR is\n specified in the configure command.\n * _LIBRARY --- The external library path. By default the\n include path is ${_ROOT_DIR}/(lib64|lib), if _ROOT_DIR is\n specified in the configure command.\nIf the _ROOT_DIR, _INCLUDE_DIR, and _LIBRARY will be used to\nsearch for specific dependencies. If the external library is not found in these\ngiven paths, or if the paths are not given, CMake will search the paths in \nCMAKE_PREFIX_PATH as well as other system paths.\n\n### Library of Exchange-Correlation DFT functionals (LIBXC):\n\nMADNESS can look for LibXC built/installed using CMake by default. You can help MADNESS find\nLibXC by providing hints to `find_package()`, e.g., by adding the installation prefix of LibXC to `CMAKE_PREFIX_PATH`.\nTo disable search for LibXC configure with `ENABLE_LIBXC=OFF`.\n\nE.g.,\n```\ncmake -DENABLE_LIBXC=ON -DCMAKE_PREFIX_PATH=/home/rjh/install ../madness\n```\n\n### Intel Threading Building Blocks (TBB):\n\n* Define MADNESS_TASK_BACKEND=TBB --- this should auto detect TBB if it is installed in a standard location. If it is not, you'll have to also define\n * TBB_ROOT_DIR --- The install prefix for TBB. If TBB_ROOT_DIR is not given, it will be set to the value of the TBBROOT environment variable if it is set. And if `cmake` still does not detect things you can set\n * TBB_INCLUDE_DIR --- The path to the TBB include directory\n * TBB_LIBRARY --- The path to the TBB library directory. By default, the library\n search path is ${TBB_ROOT_DIR}/(lib/intel64/gcc4.4|lib) on Linux and\n ${TBB_ROOT_DIR}/(lib/libc++|lib) on OS X, if TBB_ROOT_DIR is specified in\n the configure command.\n * Optionally, MADNESS_EXPLOIT_TBB_PRIORITY --- If ON, MADNESS will try to use Intel TBB task priorities [default=OFF]\n\n\n### Intel Math Kernel Library (MKL):\n\n* ENABLE_MKL --- Search for Intel MKL for BLAS and LAPACK support [default=ON]\n* MKL_ROOT_DIR --- The install prefix for MKL.\n* MKL_LIBRARY --- The path to the MKL library directory.\n\nIf MKL_ROOT_DIR is not given, it will be set to the value of the MKLROOT environment variable if it is set.\n\n### AMD Core Math Library (ACML):\n\n*This is out of date since ACML is now AOCL.*\n\n* ENABLE_ACML --- Search for AMD math library for BLAS and LAPACK support\n [default=ON]\n* ACML_ROOT_DIR --- The install prefix for ACML.\n* ACML_LIBRARY --- The path to the ACML library directory.\n\n### Google Performance Tools (Gperftools):\n\n* ENABLE_GPERFTOOLS --- Enable use of gperftools, including tcmalloc.\n [default=OFF]\n* ENABLE_TCMALLOC_MINIMAL --- Enable use of the minimal tcmalloc library only.\n [default=OFF]\n* GPERFTOOLS_ROOT_DIR --- The install prefix for gperftools.\n* GPERFTOOLS_INCLUDE_DIR --- The path to the gperftools include directory.\n* GPERFTOOLS_LIBRARY --- The path to the gperftools library directory.\n\nIf GPERFTOOLS_ROOT_DIR is not given, it will be set to the value of the GPERFTOOLS_DIR environment variable if it is set.\n\n### Libunwind:\n\n* ENABLE_LIBUNWIND --- Force detection of gperftools [default=OFF, i.e. Libunwind will be searched for when needed]\n* LIBUNWIND_DIR --- The install prefix for Libunwind.\n\nIf LIBUNWIND_DIR is not given, it will be set to the value of the LIBUNWIND_DIR environment variable if it is set.\n\n### IntegratorXX for numerical integration via DFT grids\n* ENABLE_INTEGRATORXX --- Enables use of IntegratorXX\n* INTEGRATORXX_ROOT_DIR --- The install prefix for IntegratorXX\n* INTEGRATORXX_INCLUDE_DIR --- The path to the IntegratorXX include directory (should be added automatically when the correct PCM_ROOT_DIR is given)\n\nIntegratorXX is a library for numerical integration via DFT grids. It is used in the MP3 code of Madness for \ngenerating low-rank representations of 6D functions. \nIf IntegratorXX absent, a Gaussian-distributed random grid will be used, leading to slightly varying results in \ndifferent MP3 runs.\n\n\n### Polarizable Conitinuum Solver (PCM):\n\n* ENABLE_PCM --- Enables use of PCM\n* PCM_ROOT_DIR --- The install prefix for PCM \n* PCM_INCLUDE_DIR --- The path to the PCM include directory (should be added automatically when the correct PCM_ROOT_DIR is given)\n* PCM_LIBRARY --- The path to the PCM library (should be added automatically when the correct PCM_ROOT_DIR is given)\nset either PCM_ROOT_DIR or manually set PCM_INCLUDE_DIR and PCM_LIBRARY\nSee also\nmadness/CMakeLists.txt\nmadness/external/pcm.cmake\nmadness/modules/FindPCM.cmake\nmadness/src/apps/chem/CMakeLists.txt\n\n### Performance Application Programming Interface (PAPI):\n\n* ENABLE_PAPI --- Enables use of PAPI [default=OFF]\n* PAPI_ROOT_DIR --- The install prefix for PAPI.\n* PAPI_INCLUDE_DIR --- The path to the PAPI include directory.\n* PAPI_LIBRARY --- The path to the PAPI library directory.\n\n### Elemental parallel linear algebra library:\n\n*This has not been tested in some time.*\n \nElemental provides optional distributed-memory linear algebra for some MADNESS application codes.\nMADNESS source includes (modified) Elemental v0.84, which has been validated to work with\nthe few MADNESS apps that can use Elemental. You can instruct MADNESS to download and compile\na more recent version of Elemental, if desired, but the apps will not use Elemental then.\nSuch bundling is currently necessary if your code uses the MADworld runtime AND Elemental because\nmadness::initialize will call El::initialize() .\n\n* ENABLE_ELEMENTAL --- Enable Elemental [default=OFF].\n* ELEMENTAL_TAG --- specifies the version of Elemental to be downloaded, compiled, and installed alongside\n MADNESS (numerical codes of MADNESS will not use Elemental).\n If not set, will use the included Elemental source.\n\n### Parallel Runtime Scheduling and Execution Controller (PaRSEC):\n\nRecommended only for TTG development.\n\n* ENABLE_PARSEC --- Enables use of PaRSEC as the task scheduler [default=OFF]. The use of Intel TBB should be disabled\n to use PaRSEC.\n\nIf ENABLE_PARSEC is set but PaRSEC is not found, it will be built from source.\n \n## MADNESS Runtime and the Address Space Layout Randomization (ASLR)\n\nIf you can run with one process and are getting almost immediate segmentation violations with more processes, this might be the issue.\n\nASLR (Linux relevant documentation [here](https://linux-audit.com/linux-aslr-and-kernelrandomize_va_space-setting/))\nis a standard technique for increasing platform security implemented by the OS kernel and/or\nthe dynamic linker. By randomizing both where the shared libraries are loaded as well as (when enabled) the absolute\nposition of the executable in memory (such executables are known as position-independent executables). Until recently\nMADNESS could only be used with MPI on platforms with ASLR if built with static libraries (for MADNESS code; system and other libraries could still be shared). However, static libraries make it hard to integrate with Python and other frameworks that demand shared libraries. \n\nIf properly configured and built, MADNESS can now be used on ASLR platforms using either static (the default and easiest) or shared libraries. Use the following variables to control the ASLR-related aspects of MADNESS runtime.\n\n* MADNESS_ASSUMES_ASLR_DISABLED --- MADNESS runtime will assume that the Address Space Layout Randomization (ASLR) is off.\n By default MADNESS_ASSUMES_ASLR_DISABLED is set to OFF (i.e. MADNESS will assume that ASLR is enabled);\n this will cause all libraries by default to be static (BUILD_SHARED_LIBS=OFF)\n and compiled as position-independent code (CMAKE_POSITION_INDEPENDENT_CODE=ON).\n This will also enable a runtime check for ASLR.\n* CMAKE_POSITION_INDEPENDENT_CODE --- This standard CMake variable controls whether targets are compiled by default\n as position-independent code or not. If BUILD_SHARED_LIBS=OFF need to set this to ON if want to use the MADNESS\n libraries to build shared libraries or position-independent executables.\n\nTo make things more concrete, consider the following 2 scenarios:\n* Platform with ASLR disabled --- set MADNESS_ASSUMES_ASLR_DISABLED=ON to set defaults correctly and enable the ASLR check.\n BUILD_SHARED_LIBS can be set to ON (to produce shared libraries, e.g. to save space) or to OFF to\n produce static libraries. If the static libraries will be linked into shared libraries set\n CMAKE_POSITION_INDEPENDENT_CODE=ON, otherwise CMAKE_POSITION_INDEPENDENT_CODE will be set to OFF for maximum efficiency\n of function calls.\n* Platform with ASLR enabled --- this is the default. Setting BUILD_SHARED_LIBS=ON in this scenario will produce\n executables that can only be safely used with 1 MPI rank, thus BUILD_SHARED_LIBS will be defaulted to OFF (i.e.\n MADNESS libraries will be build as static libraries). CMAKE_POSITION_INDEPENDENT_CODE is by default set to ON,\n thus MADNESS libraries can be linked into position-independent executables safely. MADNESS libraries can also be\n linked into a shared library and used with more than 1 MPI rank, provided that *ALL* code using MADNESS is part of the *SAME* shared library.\n E.g. to link MADNESS into a Python module compile MADNESS and all libraries using MADNESS as shared libraries\n (with CMAKE_POSITION_INDEPENDENT_CODE=ON) and link them all together into a single module.\n\n## Warning about fast memory allocators\n\nSummary: Only use fast memory allocators if you are using just 1 MPI process or have configured without MPI.\n\nDepending on the calculation and the number of threads being used, MADNESS can receive about a 10% or even more speedup from fast memory allocators such as tcmalloc, jemalloc, tbbmalloc, etc. However, these **do not work with MPI over InfiniBand** and probably most other transport layers. It can appear to work, and then fail with either wrong numbers or MPI errors. The reason is that IB requires that memory be pinned and hence MPI introduces its own memory allocator(s) to manage this. By overriding the allocator, you will break the guarantee that memory is pinned. \n\n## Toolchain files\n\n**Use of these files is now deprecated --- configuration should usually work without this.** However, they can be useful if all else fails or on \"bleeding-edge\" supercomputers with non-standard software environments.\n\nMADNESS provides toolchain files for select systems. They contain the platform specific settings\nneccessary to build on the given platform. The toolchain files are included with\nthe MADNESS source in the cmake/toolchains directory.\n\n* CMAKE_TOOLCHAIN_FILE --- Specifies the path (including the file name) to the\n toolchain file.\n\nFor example, to specify the toolchain file for Mira:\n\n $ cmake -D CMAKE_TOOLCHAIN_FILE=/path/to/madness/source/cmake/toolchains/mira-gcc-essl.cmake \\\n /path/to/madness/source\n \n" }, { "path": "LICENSE", "content": "Copyright (C) 1989, 1991 Free Software Foundation, Inc.\n59 Temple Place, Suite 330, Boston, MA 02111-1307 USA\n\nEveryone is permitted to copy and distribute verbatim copies\nof this license document, but changing it is not allowed.\n\nPreamble\n\nThe licenses for most software are designed to take away your\nfreedom to share and change it. By contrast, the GNU General Public\nLicense is intended to guarantee your freedom to share and change free\nsoftware--to make sure the software is free for all its users. This\nGeneral Public License applies to most of the Free Software\nFoundation's software and to any other program whose authors commit to\nusing it. (Some other Free Software Foundation software is covered by\nthe GNU Library General Public License instead.) You can apply it to\nyour programs, too.\n\nWhen we speak of free software, we are referring to freedom, not\nprice. Our General Public Licenses are designed to make sure that you\nhave the freedom to distribute copies of free software (and charge for\nthis service if you wish), that you receive source code or can get it\nif you want it, that you can change the software or use pieces of it\nin new free programs; and that you know you can do these things.\n\nTo protect your rights, we need to make restrictions that forbid\nanyone to deny you these rights or to ask you to surrender the rights.\nThese restrictions translate to certain responsibilities for you if you\ndistribute copies of the software, or if you modify it.\n\nFor example, if you distribute copies of such a program, whether\ngratis or for a fee, you must give the recipients all the rights that\nyou have. You must make sure that they, too, receive or can get the\nsource code. And you must show them these terms so they know their\nrights.\n\nWe protect your rights with two steps: (1) copyright the software, and\n(2) offer you this license which gives you legal permission to copy,\ndistribute and/or modify the software.\n\nAlso, for each author's protection and ours, we want to make certain\nthat everyone understands that there is no warranty for this free\nsoftware. If the software is modified by someone else and passed on, we\nwant its recipients to know that what they have is not the original, so\nthat any problems introduced by others will not reflect on the original\nauthors' reputations.\n\nFinally, any free program is threatened constantly by software\npatents. We wish to avoid the danger that redistributors of a free\nprogram will individually obtain patent licenses, in effect making the\nprogram proprietary. 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For software which is copyrighted by the Free\nSoftware Foundation, write to the Free Software Foundation; we sometimes\nmake exceptions for this. Our decision will be guided by the two goals\nof preserving the free status of all derivatives of our free software and\nof promoting the sharing and reuse of software generally.\n\nNO WARRANTY\n\n11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY\nFOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN\nOTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES\nPROVIDE THE PROGRAM \"AS IS\" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED\nOR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF\nMERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS\nTO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE\nPROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING,\nREPAIR OR CORRECTION.\n\n12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING\nWILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR\nREDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES,\nINCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING\nOUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED\nTO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY\nYOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER\nPROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE\nPOSSIBILITY OF SUCH DAMAGES.\n\nEND OF TERMS AND CONDITIONS\n" }, { "path": "README.md", "content": "MADNESS\n=======\n\nMultiresolution Adaptive Numerical Environment for Scientific Simulation\n\n# Summary\n\nMADNESS provides a high-level environment for the solution of integral and differential equations in many dimensions using adaptive, fast methods with guaranteed precision based on multi-resolution analysis and novel separated representations. \n\nThere are three main components to MADNESS. At the lowest level is a new petascale parallel programming environment that increases programmer productivity and code performance/scalability while maintaining backward compatibility with current programming tools such as MPI and Global Arrays. The numerical capabilities built upon the parallel tools provide a high-level environment for composing and solving numerical problems in many (1-6+) dimensions. \n\nFinally, built upon the numerical tools are new applications with initial focus upon chemistry, atomic and molecular physics, material science, and nuclear structure.\n\nUser documentation can be found on [readthedocs](https://madness.readthedocs.io/en/latest/).\n\nDeveloper documentation generated by doxygen can be found [here](https://m-a-d-n-e-s-s.github.io/madness/api-doc/).\n\n## Python bindings\n\n**[pymadness](src/pymadness/README.md)** provides Python bindings for MADNESS, exposing `Function` (1D–6D), integral operators, and derivatives to Python. Build with `cmake -DENABLE_PYTHON=ON`.\n\nHere's a [video](http://www.youtube.com/watch?v=dBwWjmf5Tic) about MADNESS.\n\n# Projects using MADNESS\n\nA non-exhaustive list of downstream projects built on MADNESS:\n\n* [TiledArray (TA)](https://github.com/ValeevGroup/tiledarray) — massively-parallel block-sparse tensor framework; consumes the MADNESS parallel runtime (MADWorld).\n* [MPQC](https://github.com/ValeevGroup/mpqc) — Massively Parallel Quantum Chemistry program; uses the MRA layer (`Function`, operators) and MADWorld through TA.\n* [Tequila](https://github.com/tequilahub/tequila) — quantum-algorithm development framework; uses MADNESS for classical chemistry back-ends.\n* [FrayedEnds](https://github.com/FabianLangkabel/FrayedEnds) — correlated electronic-structure code built on MADNESS MRA.\n\n# Funding\n\nThe developers gratefully acknowledge the support of:\n\n* The Department of Energy, Office of Science, Office of Basic Energy Sciences \"Numerically-Exact Relativistic ManyBody Electronic Structure of Heavy Elements\" grant DE-SC0022327 ((Valeev, Virginia Tech, PI).\n\n* The EPEXA project, currently supported by the National Science Foundation under grants 1931387 at Stony Brook University, 1931347 at Virginia Tech, and 1931384 at the University of Tennesse, Knoxville.\n\n* The TESSE project, supported by the National Science Foundation under grants 1450344 at Stony Brook University, 1450262 at Virginia Tech, and 1450300 at the University of Tennesse, Knoxville.\n\n* The Department of Energy, Office of Science, Office of Basic Energy Sciences and Office of Advanced Scientific Computing Research, under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory.\n\n* The National Science Foundation under grant 0509410 to the University of Tennessee in collaboration with The Ohio State University (P. Sadayappan). The MADNESS parallel runtime and parallel tree-algorithms include concepts and software developed under this project.\n\n* The National Science Foundation under grant NSF OCI-0904972 to the University of Tennessee. The solid state physics and multiconfiguration SCF capabilities are being developed by this project.\n\n* The National Science Foundation under grant NSF CHE-0625598 to the University of Tennessee, in collaboration with UIUC/NCSA. Some of the multi-threading and preliminary GPGPU ports were developed by this project.\n\n* The Defense Advanced Research Projects Agency (DARPA) under subcontract from Argonne National Laboratory as part of the High-Productivity Computer Systems (HPCS) language evaluation project.\n" }, { "path": "_config.yml", "content": "theme: jekyll-theme-slate" }, { "path": "admin/conda/README.md", "content": "# Conda Packaging for MADNESS\n\nConda packages are built and uploaded to [anaconda.org/m-a-d-n-e-s-s](https://anaconda.org/m-a-d-n-e-s-s) automatically via GitHub Actions.\n\n## Available Packages\n\n| Package | MPI | Install command |\n|---------|-----|-----------------|\n| `madness` | no | `conda install -c m-a-d-n-e-s-s madness` |\n| `madness-mpi` | Open MPI (from conda-forge) | `conda install -c m-a-d-n-e-s-s -c conda-forge madness-mpi` |\n\nBoth packages are built for Linux and macOS.\n\nThe **no-MPI** variant is the simplest option for single-node workstation use.\n\nThe **MPI variant** uses OpenMPI from conda-forge and is suitable for workstations and small clusters. Note that the conda-provided OpenMPI uses TCP networking and will not take advantage of high-performance interconnects (InfiniBand, Cray Aries, etc.).\n\n**For HPC clusters**: expert users who need optimal performance should build MADNESS from source to take full advantage of their hardware (native MPI, vendor-tuned BLAS/LAPACK, InfiniBand, etc.). See the main project README for build instructions.\n\n## Conda Recipe\n\nThe conda recipe lives in `/conda-recipe/` and consists of:\n\n- **`meta.yaml`** — Package metadata, dependencies, and build configuration. Uses Jinja templating with `GIT_DESCRIBE_TAG` for versioning and `MPI_VARIANT` to control MPI support. Conditional selectors (`# [mpi == 'openmpi']`) toggle MPI dependencies.\n- **`build.sh`** — Build script invoked by `conda build`. Runs the full CMake build inside the conda environment using conda-forge compilers and installs activation scripts that set `MRA_DATA_DIR` and `MRA_CHEMDATA_DIR`.\n\n## Automated Workflow\n\nThe workflow is defined in `/.github/workflows/conda-deploy.yml`. It runs automatically when:\n- The CI tests pass on `master` (triggered after the \"Linux/MacOS Build\" workflow succeeds)\n- A version tag (`v*`) is pushed\n- Manually via `workflow_dispatch`\n\nFor each trigger, four packages are built and uploaded (2 platforms x 2 MPI variants). Build artifacts are also saved as GitHub workflow artifacts.\n\nUntagged builds on `master` produce development versions like `0.10.1.dev20260325+abcd1234`. Tagged releases produce clean version numbers (see below).\n\n## Creating a Release with a Clean Version Number\n\n1. Update the version in `CMakeLists.txt` if needed:\n ```cmake\n set(MADNESS_MAJOR_VERSION 0)\n set(MADNESS_MINOR_VERSION 10)\n set(MADNESS_MICRO_VERSION 2)\n ```\n\n2. Commit the version bump:\n ```\n git commit -am \"Bump version to 0.10.2\"\n ```\n\n3. Create and push a tag:\n ```\n git tag v0.10.2\n git push origin master --tags\n ```\n\nThe tag triggers the conda deploy workflow directly, producing packages with version `0.10.2`.\n\n## Setup Requirements\n\nThe workflow requires an **Anaconda.org API token** stored as a GitHub repository secret:\n\n1. Go to [anaconda.org](https://anaconda.org) and log in to the `m-a-d-n-e-s-s` organization\n2. Navigate to Settings > Access and generate an API token with upload (write) permissions\n3. In the GitHub repository, go to Settings > Secrets and variables > Actions\n4. Add a new secret named `ANACONDA_TOKEN` with the token value\n\n## Manual Build (Legacy)\n\nThe `Makefile.in` and `recipe/` directory contain the original manual workflow. To use it:\n\n1. Configure MADNESS with CMake (this generates `admin/conda/Makefile` from `Makefile.in`)\n2. In the build directory's `admin/conda/`, run `make`\n3. Upload manually:\n ```\n anaconda login\n anaconda upload /path/to/madness-*.tar.bz2\n ```\n" }, { "path": "admin/conda/recipe/meta.yaml.in", "content": "{% set name = \"madness\" %}\n{% set version = \"0.10.1\" %}\n\npackage:\n name: \"{{ name|lower }}\"\n version: \"{{ version }}\"\n\n\nsource:\n url: \"@CMAKE_BINARY_DIR@/admin/conda/madness-conda.tar\"\n\n" }, { "path": "admin/docker/README.md", "content": "# What\nThis repo contains scripts for building MADNESS containers usable for running applications and for development.\n\n# How\n- Authenticate with Docker Hub: `docker login -u `\n- Build and push: `cd docker-images && make push/all`\n" }, { "path": "admin/docker/images/Makefile", "content": "repo = rjharrison\nlatest ?= 22.04\nALL = ${repo}/ubuntu\\:22.04\n\n${repo}/ubuntu\\:%: build = docker build --build-arg ubuntuImage=ubuntu:$* -f ../ubuntu/Dockerfile ../ubuntu/\n\n${repo}/ubuntu: ${repo}/ubuntu\\:${latest}\n\tdocker tag ${repo}/ubuntu:${latest} $@\n\n${repo}/ubuntu\\:%:\n\t${build} -t $@\n\n${repo}/ubuntu\\:%.tar:\n\tmkdir -p ${repo}\n\tDOCKER_BUILDKIT=1 ${build} -o - > $@\n\nall: ${ALL} ${repo}/ubuntu\n\nall/tar: $(ALL:%=%.tar)\n\npush/%: ${repo}/ubuntu\\:%\n\tdocker push $?\n\npush/all: push/22.04\n" }, { "path": "admin/docker/ubuntu/Dockerfile", "content": "ARG ubuntuImage\nFROM ${ubuntuImage}\n\nRUN apt-get update && \\\n DEBIAN_FRONTEND=noninteractive apt-get install -y locales && \\\n locale-gen \"en_US.UTF-8\" && \\\n update-locale LANG=en_US.UTF-8\n\nENV LANGUAGE en_US:en\nENV LANG en_US.UTF-8 \nENV LC_ALL en_US.UTF-8\n\n# NB to enable nvidia docker runtime *with* --runtime nvidia\nENV NVIDIA_VISIBLE_DEVICES all\n\nRUN mkdir -p /home/m-a-d-n-e-s-s/\nCOPY ./Makefile /home/m-a-d-n-e-s-s/\nWORKDIR /home/m-a-d-n-e-s-s/\n\nRUN DEBIAN_FRONTEND=noninteractive \\\n apt-get -yq update && \\\n apt-get -yq install make wget curl\n\n# main, cmake, clang\nRUN make install/main && \\\n make install/cmake && \\\n make install/clang && \\\n apt-get clean\n\n# Add MKL repo, download\nRUN make apt-add-repository/intel-mkl && \\\n make download/intel-mkl && \\\n make install/intel-mkl\n\n# build MADNESS\nRUN make build/madness\n\n\n" }, { "path": "admin/docker/ubuntu/Makefile", "content": "ubuntu_codename ?= $(shell lsb_release -sc)\nclang_version ?= 13\n\nexport DEBIAN_FRONTEND=noninteractive\n\nubuntu_release = $(shell lsb_release -sr)\n\nintel_mkl_version ?= 2020.4-304\nintel_mkl := intel-mkl-\\*-${intel_mkl_version}\n\ninstall/main:\n\tapt-get update\n\tapt-get -yq install \\\n lsb-release coreutils sudo bash-completion \\\n apt-transport-https software-properties-common ca-certificates gnupg \\\n linux-tools-common time pciutils \\\n build-essential wget curl \\\n git make ninja-build \\\n gcc g++ gfortran gdb valgrind \\\n libeigen3-dev \\\n libblas-dev liblapack-dev liblapacke-dev \\\n libunwind-dev libtbb-dev libomp-dev \\\n libopenmpi-dev openmpi-bin libscalapack-openmpi-dev \\\n libxc-dev \\\n python3 python3-pip python3-numpy python3-dev python3-pytest \\\n vim emacs-nox ccache\n\ninstall/docker:\n\tsudo apt-get install docker.io\n\ninstall/g++-%:\n\tapt-get -yq install gcc-$* g++-$* gfortran-$*\n\ninstall/add-apt-repository:\n\tapt-get update\n\tapt-get -yq install software-properties-common\n\n# CMake\ninstall/cmake:\n\twget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc | apt-key add -\n\tapt-add-repository \"deb https://apt.kitware.com/ubuntu/ ${ubuntu_codename} main\"\n\tapt-get -yq update\n\tapt-get -yq install cmake cmake-curses-gui\n\n\n# LLVM\ninstall/clang-%:\n\twget https://apt.llvm.org/llvm-snapshot.gpg.key -O - | apt-key add -\n\tadd-apt-repository \"deb http://apt.llvm.org/${ubuntu_codename}/ llvm-toolchain-${ubuntu_codename}-$* main\"\n\tapt-get -yq update\n\tapt-get -yq install clang-$* libomp-$*-dev\n\ninstall/clang: install/clang-${clang_version}\n\n\n# Intel\napt-add-repository/intel-mkl:\n\twget -O - https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2019.PUB | apt-key add -\n\tapt-add-repository \"deb https://apt.repos.intel.com/mkl all main\"\n\tapt-get -yq update\n\ndownload/intel-mkl:\n\tapt-get install -yq --download-only ${intel_mkl}\n\ninstall/intel-mkl:\n\tapt-get -yq install ${intel_mkl}\n\trm -rf /opt/intel/mkl\n\tln -s /opt/intel/compilers_and_libraries_$(subst -,.,${intel_mkl_version})/linux/mkl /opt/intel/mkl\n\ttest -x /opt/intel/mkl/bin/mklvars.sh\n\n# MADNESS\nbuild/madness:\n\tgit clone https://github.com/m-a-d-n-e-s-s/madness /home/m-a-d-n-e-s-s/source\n\tMKLROOT=/opt/intel/mkl cmake -S /home/m-a-d-n-e-s-s/source -B /home/m-a-d-n-e-s-s/build -GNinja -DCMAKE_INSTALL_PREFIX=/home/m-a-d-n-e-s-s/install\n\tcmake --build /home/m-a-d-n-e-s-s/build --target applications-madness\n\tcmake --build /home/m-a-d-n-e-s-s/build --target install\n\n" }, { "path": "admin/docker/ubuntu/sudoers", "content": "#\n# This file MUST be edited with the 'visudo' command as root.\n#\n# Please consider adding local content in /etc/sudoers.d/ instead of\n# directly modifying this file.\n#\n# See the man page for details on how to write a sudoers file.\n#\nDefaults\tenv_reset\nDefaults\tmail_badpass\nDefaults\tsecure_path=\"/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/snap/bin\"\n\n# Host alias specification\n\n# User alias specification\n\n# Cmnd alias specification\n\n# User privilege specification\nroot\tALL=(ALL:ALL) ALL\n\n# Members of the admin group may gain root privileges\n%admin ALL=(ALL) ALL\n\n# Allow members of group sudo to execute any command\n%sudo\tALL= (ALL:ALL) NOPASSWD: ALL\n\n# See sudoers(5) for more information on \"#include\" directives:\n\n#includedir /etc/sudoers.d\n" }, { "path": "bin/latex2oo", "content": "#!/bin/csh\n\n# This sed script partially automates the conversion\n# from latex to openoffice focussing on the equations.\n\nsed \\\n -e 's,\\\\begin{array}, matrix { ,g' \\\n -e 's,\\\\begin{eqnarray}, matrix { ,g' \\\n -e 's,\\\\begin{eqnarray\\*}, matrix { ,g' \\\n -e 's,\\\\end{array}, } ,g' \\\n -e 's,\\\\end{eqnarray}, } ,g' \\\n -e 's,\\\\end{eqnarray\\*}, } ,g' \\\n -e 's,\\\\left(, left ( ,g' \\\n -e 's,\\\\right), right ) ,g' \\\n -e 's,\\\\left\\\\lfloor, left lfloor ,g' \\\n -e 's,\\\\right\\\\rfloor, right rfloor,g' \\\n -e 's,\\\\left\\\\|, left ldline ,g' \\\n -e 's,\\\\right\\\\|, right rdline ,g' \\\n -e 's,\\\\left|, left lline ,g' \\\n -e 's,\\\\right|, right rline ,g' \\\n -e 's,\\\\left\\., left none ,g' \\\n -e 's,\\\\right\\., right none ,g' \\\n -e 's,& = &, # \"=\" # alignl ,g' \\\n -e 's,&=&, # \"=\" # alignl ,g' \\\n -e 's,\\\\asterisk, \"*\" ,g' \\\n -e 's,\\\\dagger, %dagger ,g' \\\n -e 's,\\\\ldots, dotslow ,g' \\\n -e 's,\\\\alpha, %alpha ,g' \\\n -e 's,\\\\beta, %beta ,g' \\\n -e 's,\\\\gamma, %gamma ,g' \\\n -e 's,\\\\delta, %delta ,g' \\\n -e 's,\\\\epsilon, %epsilon ,g' \\\n -e 's,\\\\mu, %mu ,g' \\\n -e 's,\\\\nu, %nu ,g' \\\n -e 's,\\\\omega, %omega ,g' \\\n -e 's,\\\\tau, %tau ,g' \\\n -e 's,\\\\phi, %phi ,g' \\\n -e 's,\\\\psi, %psi ,g' \\\n -e 's,\\\\sigma, %sigma ,g' \\\n -e 's,\\\\lambda, %lambda ,g' \\\n -e 's,\\\\approx, simeq ,g' \\\n -e 's,\\\\tmop, nitalic,g' \\\n -e 's,\\\\text, nitalic,g' \\\n -e 's,\\\\mathd, d,g' \\\n -e 's,\\\\sum_, sum from ,g' \\\n -e 's,\\\\int_, int from ,g' \\\n -e 's,\\\\infty, infinity ,g' \\\n -e 's,\\\\oplus, %oplus ,g' \\\n -e 's,\\\\\\\\, ## ,g' \\\n -e 's,\\\\nonumber,,g' \\\n -e 's,\\\\begin{equation},,g' \\\n -e 's,\\\\end{equation},,g' \\\n -e 's,\\\\\\[,,g' \\\n -e 's,\\\\\\],,g' \\\n -e 's,\\\\sqrt,sqrt,g' \\\n -e 's,\\\\leqslant,<=,g' \\\n -e 's,\\\\frac,frac,g' \\\n -e 's,\\$,,g' \\\n -e 's,&, # ,g' \\\n -e 's,\\\\, ,g'\n" }, { "path": "bin/taskprofile.pl", "content": "#!/usr/bin/perl\n\n#\n# This file is part of MADNESS.\n#\n# Copyright (C) 2012 Jinmei Zhang, Edward Valeev\n#\n# This program is free software; you can redistribute it and/or modify\n# it under the terms of the GNU General Public License as published by\n# the Free Software Foundation; either version 2 of the License, or\n# (at your option) any later version.\n#\n# This program is distributed in the hope that it will be useful,\n# but WITHOUT ANY WARRANTY; without even the implied warranty of\n# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the\n# GNU General Public License for more details.\n#\n# You should have received a copy of the GNU General Public License\n# along with this program; if not, write to the Free Software\n# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA\n#\n# For more information please contact:\n#\n# Robert J. Harrison\n# Oak Ridge National Laboratory\n# One Bethel Valley Road\n# P.O. Box 2008, MS-6367\n#\n# email: harrisonrj@ornl.gov\n# tel: 865-241-3937\n# fax: 865-572-0680\n#\n# $Id$\n#\n\n&usage() if $#ARGV == -1;\n\nmy %func_counts = ();\nmy %func_tottime = ();\nmy %func_lattime = ();\n\nmy @funcs;\nmy $run_time = 0;\nmy $tot_tasktime = 0;\nmy %have_thread = {};\n\n# to produce time-histograms set this to 1 and adjust the number of timeslices, if needed\nmy $make_histo = 1;\nmy $nslices = 100;\nmy $skip_shorter_than =\n 0.00; # skip if task shorter than this fraction of the timeslice\n\n# use this search pattern to only include particular tasks in the running histogram\nmy %runninghisto_includes = (\n \"all\" => \".*\" # account all tasks \n# add additional patterns below, e.g. for ta_dgemm these are useful\n , \"contract\" => \"contract\"\n , \"bcasth\" => \"bcast_.*_handler\"\n , \"bcastt\" => \"BcastTask\"\n);\n\nforeach $file (@ARGV) {\n\n\t# Open file\n\topen( INFILE, \"<$file\" ) || die \"cannot open file $file\";\n\n\t# Collect data for each task in the file\n\twhile () {\n\t\ts/\\n//g;\n\t\tmy @line = split(\"\\t\");\n\n\t\t# get task data\n\t\tmy $thread = $line[0]; # Thread that the task ran on\n\t\tmy $func_address = $line[1]; # Address of the task function\n\t\tmy $func_name = $line[2]; # Name of task function\n\t\tmy $func_nthreads = $line[3]; # Number of threads used by the task\n\t\tmy $func_submit = $line[4]; # Task submit time\n\t\tmy $func_start = $line[5]; # Task start time\n\t\tmy $func_finish = $line[6]; # Task finish time\n\n # mark presence of this thread\n $have_thread{$thread} = 1;\n\n\t\t# Calculate task run time and delay time\n\t\tmy $func_time = ( $func_finish - $func_start ) * $func_nthreads;\n\t\tmy $func_delaytime = $func_start - $func_submit;\n\n\t\t# Accumulate function statistics\n\t\tif ( $func_counts{$func_name} == 0 ) {\n\t\t\tpush( @funcs, $func_name );\n\n\t\t\t$func_counts{$func_name} = 1;\n\t\t\t$func_tottime{$func_name} = $func_time;\n\t\t\t$func_lattime{$func_name} = $func_delaytime;\n\n\t\t}\n\t\telse {\n\t\t\t++$func_counts{$func_name};\n\t\t\t$func_tottime{$func_name} += $func_time;\n\t\t\t$func_lattime{$func_name} += $func_delaytime;\n\t\t}\n\n\t\t# Get the run time\n\t\tif ( $run_time < $func_finish ) {\n\t\t\t$run_time = $func_finish;\n\t\t}\n\n\t\t# Accumulate total function run time\n\t\t$tot_functime += $func_time;\n\t}\n\tclose INFILE;\n}\n\nprintf \"\\nWall time: %10.6f (s)\\n\", $run_time;\nprintf \"Total task time: %10.6f (s)\\n\\n\", $tot_functime;\n\nprintf \"%40s\\n\", \"Time (s)\";\nprintf \"%-5s %7s %7s %10s %5s %10s\\n\", \"name\", \"counts\", \"total\", \"average\",\n \"%\", \"latency\";\n\nforeach $func ( sort by_time ( keys(%func_tottime) ) ) {\n\tmy $counts = $func_counts{$func};\n\tmy $tottime = $func_tottime{$func};\n\n\tmy $avgtime = $tottime / $counts;\n\tmy $lattime = $func_lattime{$func} / $counts;\n\tmy $perctime = $tottime / $run_time * 100;\n\tprintf \"%s\\n %10d %10.7f %10.7f %5d %10.7f\\n\", $func, $counts, $tottime,\n\t $avgtime, $perctime, $lattime;\n}\n\nprint \"\\n\";\n\n#\n# time histograms\n#\nif ($make_histo) {\n\tuse POSIX;\n\tmy $timestep = $run_time / $nslices;\n\n\t# time-weighted\n\tmy @pendinghisto = ();\n\tforeach $ts ( 0 .. $nslices - 1 ) { push @pendinghisto, 0.0; }\n\tmy @inprogresshisto = ();\n\tforeach $ts ( 0 .. $nslices - 1 ) { push @inprogresshisto, 0.0; }\n\tmy %runninghistos = {};\n foreach my $key (keys %runninghisto_includes) {\n \tmy $values = [];\n foreach $ts ( 0 .. $nslices - 1 ) { push @$values, 0.0; }\n $runninghistos{$key} = $values;\n }\n\n\t# not time-weighted\n\tmy @spawnedhisto = ();\n\tforeach $ts ( 0 .. $nslices - 1 ) { push @spawnedhisto, 0.0; }\n\tmy @startedhisto = ();\n\tforeach $ts ( 0 .. $nslices - 1 ) { push @startedhisto, 0.0; }\n\tmy @retiredhisto = ();\n\tforeach $ts ( 0 .. $nslices - 1 ) { push @retiredhisto, 0.0; }\n\n # this is the list of tasks active for each time slice\n # each entry is (ref to) an array of tasks active (not necessarily actively running, i.e. could be waiting for\n # subtasks to finish)\n my @inprogresstasks = ();\n foreach my $slice (0 .. $nslices-1) {\n \t$inprogresstasks[$slice] = [];\n }\n\n\tforeach $file (@ARGV) {\n\n\t\t# Open file\n\t\topen( INFILE, \"<$file\" ) || die \"cannot open file $file\";\n\n\t\t# this will keep running tasks for each thread for deeper processing\n\t\tmy %runningtasks = {};\n\t\tforeach my $threadid (keys %have_thread) {\n\t\t\t$runningtasks{$threadid} = [];\n\t\t}\n\n\t\t# Collect data for each task in the file\n\t\twhile () {\n\t\t\ts/\\n//g;\n\t\t\tmy @line = split(\"\\t\");\n\n my $thread = $line[0]; # Thread that the task ran on\n my $func_name = $line[2]; # Name of task function\n\t\t\tmy $func_nthreads = $line[3]; # Number of threads used by the task\n#\t\t\tdie(\"don't know how to handle a multithreaded task\")\n#\t\t\t if ( $func_nthreads != 1 );\n\t\t\tmy $time_submit = $line[4]; # Task submit time\n\t\t\tmy $time_start = $line[5]; # Task start time\n\t\t\tmy $time_finish = $line[6]; # Task finish time\n\n my $tasklist = $runningtasks{$thread};\n\t\t\tmy $task = { \"start\" => $time_start, \"finish\" => $time_finish,\n\t\t\t\t \"name\" => $func_name, \"thread\" => $thread };\n\t\t\tpush @$tasklist, $task;\n\n\t\t\tif ( $time_start - $time_submit > $timestep * $skip_shorter_than ) {\n\t\t\t\tmy $submit_ts_0 = floor( $time_submit / $timestep );\n\t\t\t\tmy $submit_ts_1 = floor( $time_start / $timestep );\n\t\t\t\tif ( $submit_ts_0 != $submit_ts_1 ) {\n\t\t\t\t\t$pendinghisto[$submit_ts_0] +=\n\t\t\t\t\t ( $submit_ts_0 + 1 ) - ( $time_submit / $timestep );\n\t\t\t\t\tforeach my $ts ( $submit_ts_0 + 1 .. $submit_ts_1 - 1 ) {\n\t\t\t\t\t\t$pendinghisto[$ts] += 1;\n\t\t\t\t\t}\n\t\t\t\t\t$pendinghisto[$submit_ts_1] +=\n\t\t\t\t\t ( $time_start / $timestep ) - $submit_ts_1;\n\t\t\t\t}\n\t\t\t\telse {\n\t\t\t\t\t$pendinghisto[$submit_ts_0] +=\n\t\t\t\t\t ( $time_start - $time_submit ) / $timestep;\n\t\t\t\t}\n\t\t\t}\n\n\t\t\tif ( $time_finish - $time_start > $timestep * $skip_shorter_than ) {\n\t\t\t\tmy $start_ts_0 = floor( $time_start / $timestep );\n\t\t\t\tmy $start_ts_1 = floor( $time_finish / $timestep );\n\t\t\t\tif ( $start_ts_0 != $start_ts_1 ) {\n\t\t\t\t\t$inprogresshisto[$start_ts_0] +=\n\t\t\t\t\t ( $start_ts_0 + 1 ) - ( $time_start / $timestep );\n\t\t\t\t\tpush @{ $$inprogresstasks[$start_ts_0] }, $task;\n\t\t\t\t\tforeach my $ts ( $start_ts_0 + 1 .. $start_ts_1 - 1 ) {\n\t\t\t\t\t\t$inprogresshisto[$ts] += 1;\n push @{ $$inprogresstasks[$ts] }, $task;\n\t\t\t\t\t}\n\t\t\t\t\t$inprogresshisto[$start_ts_1] +=\n\t\t\t\t\t ( $time_finish / $timestep ) - $start_ts_1;\n push @{ $$inprogresstasks[$start_ts_1] }, $task;\n\t\t\t\t}\n\t\t\t\telse {\n\t\t\t\t\t$inprogresshisto[$start_ts_0] +=\n\t\t\t\t\t ( $time_finish - $time_start ) / $timestep;\n push @{ $$inprogresstasks[$start_ts_0] }, $task;\n\t\t\t\t}\n\t\t\t}\n\n\t\t\tmy $spawned_ts = floor( $time_submit / $timestep );\n\t\t\t$spawnedhisto[$spawned_ts] += 1;\n\t\t\tmy $started_ts = floor( $time_start / $timestep );\n\t\t\t$startedhisto[$started_ts] += 1;\n\t\t\tmy $stop_ts = floor( $time_finish / $timestep );\n\t\t\t$retiredhisto[$stop_ts] += 1;\n\t\t}\n\t\tclose INFILE;\n\n\t\t# compute the time-averaged # of running\n\t\tforeach my $threadid (keys %runningtasks) {\n#\t\t\tprintf STDOUT \"threadid = %d\\n\", $threadid;\n\t\t\tmy $tasklistref = $runningtasks{$threadid};\n\t\t\tmy @tasklist = sort { $$a{\"start\"} <=> $$b{\"start\"} } @$tasklistref;\n\t\t\t\t \n\t\t my $time_finish_last = 0.0;\n\t\t\tforeach my $taskptr (@tasklist) {\n\t\t\t\tmy %task = %$taskptr;\n my $time_start = $task{\"start\"};\n my $time_finish = $task{\"finish\"};\n my $func_name = $task{\"name\"};\n#\t\t\t\tprintf STDOUT \"%lf %lf\\n\", $task{\"start\"}, $task{\"finish\"};\n\n if ($time_finish > $time_finish_last) {\n \t\n \tif ($time_start < $time_finish_last) {\n \t\t$time_start = $time_finish_last;\n \t}\n \t\n my $start_ts_0 = floor( $time_start / $timestep );\n my $start_ts_1 = floor( $time_finish / $timestep );\n \n if ( $start_ts_0 != $start_ts_1 ) {\n \tforeach my $key (keys %runninghisto_includes) {\n \t\tmy $func_name_pattern = $runninghisto_includes{$key};\n if ($func_name =~ /$func_name_pattern/) {\n ${ $runninghistos{$key} }[$start_ts_0] +=\n ( $start_ts_0 + 1 ) - ( $time_start / $timestep );\n foreach my $ts ( $start_ts_0 + 1 .. $start_ts_1 - 1 ) {\n ${ $runninghistos{$key} }[$ts] += 1;\n }\n ${ $runninghistos{$key} }[$start_ts_1] +=\n ( $time_finish / $timestep ) - $start_ts_1;\n } \t\t\n \t}\n }\n else {\n foreach my $key (keys %runninghisto_includes) {\n my $func_name_pattern = $runninghisto_includes{$key};\n if ($func_name =~ /$func_name_pattern/) {\n ${ $runninghistos{$key} }[$start_ts_0] +=\n ( $time_finish - $time_start ) / $timestep;\n \t}\n }\n }\n \t\n \t$time_finish_last = $time_finish;\n }\n\t\t\t}\n\t\t}\n\n\t\t# print out the histograms for this trace\n\t\tprintf STDOUT \"file = %s\\n\", $file;\n\t\tprintf STDOUT \"timestep = %lf\\n\", $timestep;\n\n\t\tprintf STDOUT \"# ts nspawned nstarted nretired\\n\";\n\t\tforeach my $ts ( 0 .. $nslices - 1 ) {\n\t\t\tprintf STDOUT \"%d\\t%lf\\t%lf\\t%lf\\n\", $ts, $spawnedhisto[$ts], $startedhisto[$ts], $retiredhisto[$ts];\n\t\t}\n#\t\tprintf STDOUT \"time-weighted # of waiting\\n\";\n#\t\tforeach my $ts ( 0 .. $nslices - 1 ) {\n#\t\t\tprintf STDOUT \"%d %lf\\n\", $ts, $pendinghisto[$ts];\n#\t\t}\n#\t\tprintf STDOUT \"time-weighted # of in-progress\\n\";\n#\t\tforeach my $ts ( 0 .. $nslices - 1 ) {\n#\t\t\tprintf STDOUT \"%d %lf\\n\", $ts, $inprogresshisto[$ts];\n#\t\t}\n\n\t\t# list keys in a reasonable order (keys returns keys in a weird order)\n\t\t# \"all\" first, then the rest\n\t\tmy @running_keys = (\"all\");\n\t\tforeach my $key (keys %runninghisto_includes) {\n\t\t\tpush @running_keys, $key if $key ne \"all\";\n\t\t}\n printf STDOUT \"# ts, pend\";\t\t\n foreach my $key (@running_keys) {\n \tprintf STDOUT \", run_%s\", $key;\n }\n printf STDOUT \"\\n\";\n\t\tforeach my $ts ( 0 .. $nslices - 1 ) {\n\t\t\tprintf STDOUT \"%d\", $ts;\n\t\t\tprintf STDOUT \", %lf\", $pendinghisto[$ts];\n\t\t\tforeach my $key (@running_keys) {\n \t\t\t printf STDOUT \", %lf\", ${ $runninghistos{$key} }[$ts];\n\t\t\t}\n\t\t\tprintf STDOUT \"\\n\";\n\t\t}\n\t\t\n\t\tmy $active_tasks_fname = \"$file.active_tasks.log\";\n\t\topen ATFILE, \">$active_tasks_fname\" || die \"could not open $active_tasks_fname\";\n\t\tforeach my $ts (0 .. $nslices-1) {\n\t\t\tprintf ATFILE \"============================ ts %d: [%lf,%lf] =============================\\n\",\n\t\t\t $ts, $ts*$timestep, ($ts+1)*$timestep;\n\t\t\tforeach my $taskref (sort { $$a{\"thread\"} <=> $$b{\"thread\"} } @{ $$inprogresstasks[$ts] }) {\n\t\t\t\tprintf ATFILE \"%d %s %lf %lf\\n\",\n\t\t\t\t $$taskref{\"thread\"}, $$taskref{\"name\"},\n\t\t\t\t $$taskref{\"start\"}, $$taskref{\"finish\"};\n\t\t\t}\n\t\t}\n\t\tclose ATFILE;\n\n\t}\n\n}\n\nexit 0;\n\nsub usage {\n\tprintf STDERR\n\t \"taskprofile.pl converts trace files info a summary profile. Usage:\\n\";\n\tprintf STDERR\n\t \" taskprofile.pl [ ... ]\\n\";\n\texit 0;\n}\n\nsub by_time {\n\t$func_tottime{$b} <=> $func_tottime{$a};\n}\n" }, { "path": "bin/test_utilities.py", "content": "import json\nimport subprocess\n\nclass madjsoncompare:\n # \"\"\"takes two json output files and compares individual keys, accessed by a list of descending keys\"\"\"\n def __init__(self, file1, file2):\n \"\"\"Initialize with two json files, which are read and stored in data1 and data2\"\"\"\n if not file1.endswith('.json'):\n raise ValueError(\"File1 must be a JSON file\")\n if not file2.endswith('.json'):\n raise ValueError(\"File2 must be a JSON file\")\n if not file1 or not file2:\n raise ValueError(\"Both file1 and file2 must be provided\")\n if not isinstance(file1, str) or not isinstance(file2, str):\n raise TypeError(\"file1 and file2 must be strings representing file paths\")\n\n # print out file names\n print('comparing files:', file1, file2)\n self.file1=file1\n self.file2=file2\n self.success=True\n\n with open(file1, 'r') as f:\n self.data1 = json.load(f)\n\n with open(file2, 'r') as f:\n self.data2 = json.load(f)\n\n# print(\"json1\",self.data1)\n# print(\"json2\",self.data2)\n\n def exitcode(self):\n if self.success:\n return 0\n else:\n return 1\n\n def compare(self, subsequentkeys, tolerance):\n value1=self.data1\n value2=self.data2\n for i in subsequentkeys:\n# print(\"key \", i, \" in \", value1, value2)\n value1=value1[i]\n value2=value2[i]\n\n # print(\"type of key/value\",type(i),type(value1))\n success=False\n diff='is different'\n if (type(value1)==float):\n diff=abs(value1-value2)\n success=diff/dev/null)\ncurl := $(shell curl 2>/dev/null)\n\nifneq ($(wget), )\ndownload := wget $(URL) -O $(CMAKE).tar.gz\nelse\ndownload := curl $(URL) -o $(CMAKE).tar.gz\nendif\n\n\n$(CMAKE).tar.gz:\n\t$(download)\n\n.PHONY: cmake\ncmake: $(CMAKE).tar.gz\n\ttar -xzf $(CMAKE).tar.gz\n\tcd ./$(CMAKE)\n\tcd $(CMAKE) && ./configure --prefix=$(PREFIX) # --system-curl\n\tcd $(CMAKE) && make install\n\n\n" }, { "path": "cmake/config.h.in", "content": "/* Input file cmake/config.h.in. */\n\n/* Define of package information */\n#define MADNESS_PACKAGE_NAME \"@PROJECT_NAME@\"\n#define MADNESS_PACKAGE_URL \"https://github.com/m-a-d-n-e-s-s/madness\"\n#define MADNESS_PACKAGE_VERSION \"@MADNESS_VERSION@\"\n#define MADNESS_VERSION \"@MADNESS_VERSION@\"\n#define MADNESS_MAJOR_VERSION @MADNESS_MAJOR_VERSION@\n#define MADNESS_MINOR_VERSION @MADNESS_MAJOR_VERSION@\n#define MADNESS_MICRO_VERSION @MADNESS_MAJOR_VERSION@\n\n/* Configured information */\n#define MADNESS_CONFIGURATION_CXX \"@CMAKE_CXX_COMPILER@\"\n#define MADNESS_CONFIGURATION_CXXFLAGS \"@CMAKE_CXX_FLAGS@\"\n#define HOST_SYSTEM \"@CMAKE_HOST_SYSTEM_NAME@\"\n#define MADNESS_CONFIGURATION_DATE \"@MADNESS_CONFIGURATION_DATE@\"\n#define MADNESS_CONFIGURATION_HOST \"@MADNESS_CONFIGURATION_HOST@\"\n#define MADNESS_CONFIGURATION_USER \"@MADNESS_CONFIGURATION_USER@\"\n\n/* Target for tuning mtxmq kernels */\n#cmakedefine AMD_QUADCORE_TUNE 1\n\n/* Fortran-C linking convention type and integer size */\n#cmakedefine FORTRAN_LINKAGE_LC 1\n#cmakedefine FORTRAN_LINKAGE_LCU 1\n#cmakedefine FORTRAN_LINKAGE_LCUU 1\n#cmakedefine FORTRAN_LINKAGE_UC 1\n#cmakedefine FORTRAN_LINKAGE_UCU 1\n#define MADNESS_FORTRAN_DEFAULT_INTEGER_SIZE @FORTRAN_INTEGER_SIZE@\n\n/* Defined system specific macros */\n#cmakedefine HAVE_CRAYXE 1\n#cmakedefine HAVE_CRAYXT 1\n#cmakedefine HAVE_IBMBGP 1\n#cmakedefine HAVE_IBMBGQ 1\n#cmakedefine ON_A_MAC 1\n#define MADNESS_CXX_ABI_GenericItanium @MADNESS_CXX_ABI_GenericItanium@\n#define MADNESS_CXX_ABI_GenericARM @MADNESS_CXX_ABI_GenericARM@\n#define MADNESS_CXX_ABI_Microsoft @MADNESS_CXX_ABI_Microsoft@\n#define MADNESS_CXX_ABI @MADNESS_CXX_ABI@\n\n/* Define type macros. */\n#cmakedefine HAVE_INT64_T 1\n#cmakedefine HAVE_LONG_LONG 1\n/* Define to `int' if does not define. */\n#cmakedefine SYS_TYPES_H_HAS_PID_T 1\n#if !defined(SYS_TYPES_H_HAS_PID_T)\n# define pid_t int\n#endif\n\n/* Define MADNESS has access to the library. */\n#cmakedefine HAVE_MTXMQ 1\n#cmakedefine HAVE_ACML 1\n#cmakedefine HAVE_INTEL_TBB 1\n#cmakedefine MADNESS_CAN_USE_TBB_PRIORITY 1\n#cmakedefine HAVE_PARSEC 1\n#cmakedefine HAVE_INTEL_MKL 1\n#cmakedefine HAVE_PAPI 1\n#cmakedefine MADNESS_HAS_PCM 1\n#cmakedefine MADNESS_HAS_LIBXC 1\n#cmakedefine MADNESS_HAS_INTEGRATORXX 1\n#cmakedefine MADNESS_HAS_BOOST 1\n#cmakedefine MADNESS_HAS_ELEMENTAL 1\n#cmakedefine MADNESS_HAS_ELEMENTAL_EMBEDDED 1\n#cmakedefine MADNESS_HAS_GOOGLE_PERF 1\n#cmakedefine MADNESS_HAS_GOOGLE_PERF_PROFILER 1\n#cmakedefine MADNESS_HAS_GOOGLE_PERF_TCMALLOC 1\n#cmakedefine MADNESS_HAS_GOOGLE_PERF_TCMALLOC_MINIMAL 1\n#cmakedefine MADNESS_HAS_GOOGLE_TEST 1\n#cmakedefine MADNESS_HAS_LIBUNWIND 1\n\n/* Define has access to function. */\n#cmakedefine HAVE_FORK 1\n#cmakedefine HAVE_MEMSET 1\n#cmakedefine HAVE_POSIX_MEMALIGN 1\n#cmakedefine MISSING_POSIX_MEMALIGN_PROTO 1\n#cmakedefine HAVE_POW 1\n#cmakedefine HAVE_RANDOM 1\n#cmakedefine HAVE_SLEEP 1\n#cmakedefine HAVE_STD_ABS_LONG 1\n#cmakedefine HAVE_STRCHR 1\n\n/* Define if header files are available. */\n#ifndef HAVE_SYS_STAT_H\n#cmakedefine HAVE_SYS_STAT_H 1\n#endif\n#ifndef HAVE_SYS_TYPES_H\n#cmakedefine HAVE_SYS_TYPES_H\n#endif\n#ifndef HAVE_UNISTD_H\n#cmakedefine HAVE_UNISTD_H 1\n#endif\n#ifndef HAVE_RESOURCE_H\n#cmakedefine HAVE_RESOURCE_H 1\n#endif\n#cmakedefine HAVE_ELEMENTAL_H 1\n#cmakedefine HAVE_EL_H 1\n\n/* Set if compiler will instantiate static templates */\n#cmakedefine HAVE_UNQUALIFIED_STATIC_DECL 1\n\n/* Set MADNESS assertions behavior */\n#cmakedefine MADNESS_ASSERTIONS_ABORT 1\n#cmakedefine MADNESS_ASSERTIONS_ASSERT 1\n#cmakedefine MADNESS_ASSERTIONS_DISABLE 1\n#cmakedefine MADNESS_ASSERTIONS_THROW 1\n\n/* The default binding for threads */\n#define MADNESS_TASK_BACKEND \"@MADNESS_TASK_BACKEND@\"\n\n/* Thread-safety level requested from MPI by MADNESS */\n#define MADNESS_MPI_THREAD_LEVEL @MADNESS_MPI_THREAD_LEVEL@\n#cmakedefine STUBOUTMPI 1\n#ifndef MADNESS_MPI_HEADER\n# cmakedefine MADNESS_MPI_HEADER \"@MADNESS_MPI_HEADER@\"\n#endif\n\n/* The default binding for threads */\n#define MAD_BIND_DEFAULT \"@MAD_BIND_DEFAULT@\"\n\n/* Define to enable MADNESS features */\n#cmakedefine MADNESS_TASK_PROFILING 1\n#cmakedefine MADNESS_USE_BSEND_ACKS 1\n#cmakedefine ENABLE_GENTENSOR 1\n#cmakedefine NEVER_SPIN 1\n#cmakedefine TENSOR_BOUNDS_CHECKING 1\n#cmakedefine TENSOR_INSTANCE_COUNT 1\n#cmakedefine USE_SPINLOCKS 1\n#cmakedefine WORLD_GATHER_MEM_STATS 1\n#cmakedefine WORLD_MEM_PROFILE_ENABLE 1\n#cmakedefine WORLD_PROFILE_ENABLE 1\n#cmakedefine MADNESS_TASK_DEBUG_TRACE 1\n#cmakedefine MADNESS_LINALG_USE_LAPACKE 1\n#cmakedefine MADNESS_DQ_USE_PREBUF 1\n#cmakedefine MADNESS_DQ_PREBUF_SIZE @MADNESS_DQ_PREBUF_SIZE@\n#cmakedefine MADNESS_ASSUMES_ASLR_DISABLED 1\n#cmakedefine MADNESS_WORLDOBJECT_FUTURE_TRACE 1\n#cmakedefine MADNESS_WORLDOBJECT_FUTURE_TRACE_WORLD_ID @MADNESS_WORLDOBJECT_FUTURE_TRACE_WORLD_ID@\n#cmakedefine MADNESS_WORLDOBJECT_FUTURE_TRACE_MAX_NOBJECTS @MADNESS_WORLDOBJECT_FUTURE_TRACE_MAX_NOBJECTS@\n\n/* Define to the equivalent of the C99 'restrict' keyword, or to\n nothing if this is not supported. Do not define if restrict is\n supported directly. */\n#define MADNESS_RESTRICT @RESTRICT_KEYWORD@\n/* Work around a bug in Sun C++: it does not support _Restrict or\n __restrict__, even though the corresponding Sun C compiler ends up with\n \"#define restrict _Restrict\" or \"#define restrict __restrict__\" in the\n previous line. Perhaps some future version of Sun C++ will work with\n restrict; if so, hopefully it defines __RESTRICT like Sun C does. */\n#if defined __SUNPRO_CC && !defined __RESTRICT\n# define _Restrict\n# define __restrict__\n#endif\n\n\n/* Define the thread_local key word. */\n#cmakedefine THREAD_LOCAL_KEYWORD @THREAD_LOCAL_KEYWORD@\n#if defined(THREAD_LOCAL_KEYWORD)\n# define thread_local THREAD_LOCAL_KEYWORD\n#endif\n\n/* Define to the application path if available */\n#cmakedefine HAVE_XTERM 1\n#cmakedefine XTERM_EXECUTABLE \"@XTERM_EXECUTABLE@\"\n#cmakedefine HAVE_GDB 1\n#cmakedefine GDB_EXECUTABLE \"@GDB_EXECUTABLE@\"\n#cmakedefine HAVE_LLDB 1\n#cmakedefine LLDB_EXECUTABLE \"@LLDB_EXECUTABLE@\"\n" }, { "path": "cmake/doxygen.cfg.in", "content": "# Doxyfile 1.8.9.1\n\n# This file describes the settings to be used by the documentation system\n# doxygen (www.doxygen.org) for a project.\n#\n# All text after a double hash (##) is considered a comment and is placed in\n# front of the TAG it is preceding.\n#\n# All text after a single hash (#) is considered a comment and will be ignored.\n# The format is:\n# TAG = value [value, ...]\n# For lists, items can also be appended using:\n# TAG += value [value, ...]\n# Values that contain spaces should be placed between quotes (\\\" \\\").\n\n#---------------------------------------------------------------------------\n# Project related configuration options\n#---------------------------------------------------------------------------\n\n# This tag specifies the encoding used for all characters in the config file\n# that follow. The default is UTF-8 which is also the encoding used for all text\n# before the first occurrence of this tag. Doxygen uses libiconv (or the iconv\n# built into libc) for the transcoding. See http://www.gnu.org/software/libiconv\n# for the list of possible encodings.\n# The default value is: UTF-8.\n\nDOXYFILE_ENCODING = UTF-8\n\n# The PROJECT_NAME tag is a single word (or a sequence of words surrounded by\n# double-quotes, unless you are using Doxywizard) that should identify the\n# project for which the documentation is generated. This name is used in the\n# title of most generated pages and in a few other places.\n# The default value is: My Project.\n\nPROJECT_NAME = @PROJECT_NAME@\n\n# The PROJECT_NUMBER tag can be used to enter a project or revision number. This\n# could be handy for archiving the generated documentation or if some version\n# control system is used.\n\nPROJECT_NUMBER = \"@MADNESS_VERSION@\"\n\n# Using the PROJECT_BRIEF tag one can provide an optional one line description\n# for a project that appears at the top of each page and should give viewer a\n# quick idea about the purpose of the project. Keep the description short.\n\nPROJECT_BRIEF =\n\n# With the PROJECT_LOGO tag one can specify a logo or an icon that is included\n# in the documentation. The maximum height of the logo should not exceed 55\n# pixels and the maximum width should not exceed 200 pixels. Doxygen will copy\n# the logo to the output directory.\n\nPROJECT_LOGO =\n\n# The OUTPUT_DIRECTORY tag is used to specify the (relative or absolute) path\n# into which the generated documentation will be written. If a relative path is\n# entered, it will be relative to the location where doxygen was started. If\n# left blank the current directory will be used.\n\nOUTPUT_DIRECTORY = ./\n\n# If the CREATE_SUBDIRS tag is set to YES then doxygen will create 4096 sub-\n# directories (in 2 levels) under the output directory of each output format and\n# will distribute the generated files over these directories. Enabling this\n# option can be useful when feeding doxygen a huge amount of source files, where\n# putting all generated files in the same directory would otherwise causes\n# performance problems for the file system.\n# The default value is: NO.\n\nCREATE_SUBDIRS = NO\n\n# If the ALLOW_UNICODE_NAMES tag is set to YES, doxygen will allow non-ASCII\n# characters to appear in the names of generated files. If set to NO, non-ASCII\n# characters will be escaped, for example _xE3_x81_x84 will be used for Unicode\n# U+3044.\n# The default value is: NO.\n\nALLOW_UNICODE_NAMES = NO\n\n# The OUTPUT_LANGUAGE tag is used to specify the language in which all\n# documentation generated by doxygen is written. Doxygen will use this\n# information to generate all constant output in the proper language.\n# Possible values are: Afrikaans, Arabic, Armenian, Brazilian, Catalan, Chinese,\n# Chinese-Traditional, Croatian, Czech, Danish, Dutch, English (United States),\n# Esperanto, Farsi (Persian), Finnish, French, German, Greek, Hungarian,\n# Indonesian, Italian, Japanese, Japanese-en (Japanese with English messages),\n# Korean, Korean-en (Korean with English messages), Latvian, Lithuanian,\n# Macedonian, Norwegian, Persian (Farsi), Polish, Portuguese, Romanian, Russian,\n# Serbian, Serbian-Cyrillic, Slovak, Slovene, Spanish, Swedish, Turkish,\n# Ukrainian and Vietnamese.\n# The default value is: English.\n\nOUTPUT_LANGUAGE = English\n\n# If the BRIEF_MEMBER_DESC tag is set to YES, doxygen will include brief member\n# descriptions after the members that are listed in the file and class\n# documentation (similar to Javadoc). Set to NO to disable this.\n# The default value is: YES.\n\nBRIEF_MEMBER_DESC = YES\n\n# If the REPEAT_BRIEF tag is set to YES, doxygen will prepend the brief\n# description of a member or function before the detailed description\n#\n# Note: If both HIDE_UNDOC_MEMBERS and BRIEF_MEMBER_DESC are set to NO, the\n# brief descriptions will be completely suppressed.\n# The default value is: YES.\n\nREPEAT_BRIEF = YES\n\n# This tag implements a quasi-intelligent brief description abbreviator that is\n# used to form the text in various listings. Each string in this list, if found\n# as the leading text of the brief description, will be stripped from the text\n# and the result, after processing the whole list, is used as the annotated\n# text. Otherwise, the brief description is used as-is. If left blank, the\n# following values are used ($name is automatically replaced with the name of\n# the entity):The $name class, The $name widget, The $name file, is, provides,\n# specifies, contains, represents, a, an and the.\n\nABBREVIATE_BRIEF =\n\n# If the ALWAYS_DETAILED_SEC and REPEAT_BRIEF tags are both set to YES then\n# doxygen will generate a detailed section even if there is only a brief\n# description.\n# The default value is: NO.\n\nALWAYS_DETAILED_SEC = NO\n\n# If the INLINE_INHERITED_MEMB tag is set to YES, doxygen will show all\n# inherited members of a class in the documentation of that class as if those\n# members were ordinary class members. Constructors, destructors and assignment\n# operators of the base classes will not be shown.\n# The default value is: NO.\n\nINLINE_INHERITED_MEMB = NO\n\n# If the FULL_PATH_NAMES tag is set to YES, doxygen will prepend the full path\n# before files name in the file list and in the header files. If set to NO the\n# shortest path that makes the file name unique will be used\n# The default value is: YES.\n\nFULL_PATH_NAMES = NO\n\n# The STRIP_FROM_PATH tag can be used to strip a user-defined part of the path.\n# Stripping is only done if one of the specified strings matches the left-hand\n# part of the path. The tag can be used to show relative paths in the file list.\n# If left blank the directory from which doxygen is run is used as the path to\n# strip.\n#\n# Note that you can specify absolute paths here, but also relative paths, which\n# will be relative from the directory where doxygen is started.\n# This tag requires that the tag FULL_PATH_NAMES is set to YES.\n\nSTRIP_FROM_PATH = @PROJECT_SOURCE_DIR@/src\n\n# The STRIP_FROM_INC_PATH tag can be used to strip a user-defined part of the\n# path mentioned in the documentation of a class, which tells the reader which\n# header file to include in order to use a class. If left blank only the name of\n# the header file containing the class definition is used. Otherwise one should\n# specify the list of include paths that are normally passed to the compiler\n# using the -I flag.\n\nSTRIP_FROM_INC_PATH =\n\n# If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter (but\n# less readable) file names. This can be useful is your file systems doesn't\n# support long names like on DOS, Mac, or CD-ROM.\n# The default value is: NO.\n\nSHORT_NAMES = NO\n\n# If the JAVADOC_AUTOBRIEF tag is set to YES then doxygen will interpret the\n# first line (until the first dot) of a Javadoc-style comment as the brief\n# description. If set to NO, the Javadoc-style will behave just like regular Qt-\n# style comments (thus requiring an explicit @brief command for a brief\n# description.)\n# The default value is: NO.\n\nJAVADOC_AUTOBRIEF = NO\n\n# If the QT_AUTOBRIEF tag is set to YES then doxygen will interpret the first\n# line (until the first dot) of a Qt-style comment as the brief description. If\n# set to NO, the Qt-style will behave just like regular Qt-style comments (thus\n# requiring an explicit \\brief command for a brief description.)\n# The default value is: NO.\n\nQT_AUTOBRIEF = NO\n\n# The MULTILINE_CPP_IS_BRIEF tag can be set to YES to make doxygen treat a\n# multi-line C++ special comment block (i.e. a block of //! or /// comments) as\n# a brief description. This used to be the default behavior. The new default is\n# to treat a multi-line C++ comment block as a detailed description. Set this\n# tag to YES if you prefer the old behavior instead.\n#\n# Note that setting this tag to YES also means that rational rose comments are\n# not recognized any more.\n# The default value is: NO.\n\nMULTILINE_CPP_IS_BRIEF = NO\n\n# If the INHERIT_DOCS tag is set to YES then an undocumented member inherits the\n# documentation from any documented member that it re-implements.\n# The default value is: YES.\n\nINHERIT_DOCS = YES\n\n# If the SEPARATE_MEMBER_PAGES tag is set to YES then doxygen will produce a new\n# page for each member. If set to NO, the documentation of a member will be part\n# of the file/class/namespace that contains it.\n# The default value is: NO.\n\nSEPARATE_MEMBER_PAGES = NO\n\n# The TAB_SIZE tag can be used to set the number of spaces in a tab. Doxygen\n# uses this value to replace tabs by spaces in code fragments.\n# Minimum value: 1, maximum value: 16, default value: 4.\n\nTAB_SIZE = 4\n\n# This tag can be used to specify a number of aliases that act as commands in\n# the documentation. An alias has the form:\n# name=value\n# For example adding\n# \"sideeffect=@par Side Effects:\\n\"\n# will allow you to put the command \\sideeffect (or @sideeffect) in the\n# documentation, which will result in a user-defined paragraph with heading\n# \"Side Effects:\". You can put \\n's in the value part of an alias to insert\n# newlines.\n\nALIASES = \"website=https://github.com/m-a-d-n-e-s-s/madness\"\n\n# This tag can be used to specify a number of word-keyword mappings (TCL only).\n# A mapping has the form \"name=value\". For example adding \"class=itcl::class\"\n# will allow you to use the command class in the itcl::class meaning.\n\nTCL_SUBST =\n\n# Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C sources\n# only. Doxygen will then generate output that is more tailored for C. For\n# instance, some of the names that are used will be different. The list of all\n# members will be omitted, etc.\n# The default value is: NO.\n\nOPTIMIZE_OUTPUT_FOR_C = NO\n\n# Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java or\n# Python sources only. Doxygen will then generate output that is more tailored\n# for that language. For instance, namespaces will be presented as packages,\n# qualified scopes will look different, etc.\n# The default value is: NO.\n\nOPTIMIZE_OUTPUT_JAVA = NO\n\n# Set the OPTIMIZE_FOR_FORTRAN tag to YES if your project consists of Fortran\n# sources. Doxygen will then generate output that is tailored for Fortran.\n# The default value is: NO.\n\nOPTIMIZE_FOR_FORTRAN = NO\n\n# Set the OPTIMIZE_OUTPUT_VHDL tag to YES if your project consists of VHDL\n# sources. Doxygen will then generate output that is tailored for VHDL.\n# The default value is: NO.\n\nOPTIMIZE_OUTPUT_VHDL = NO\n\n# Doxygen selects the parser to use depending on the extension of the files it\n# parses. With this tag you can assign which parser to use for a given\n# extension. Doxygen has a built-in mapping, but you can override or extend it\n# using this tag. The format is ext=language, where ext is a file extension, and\n# language is one of the parsers supported by doxygen: IDL, Java, Javascript,\n# C#, C, C++, D, PHP, Objective-C, Python, Fortran (fixed format Fortran:\n# FortranFixed, free formatted Fortran: FortranFree, unknown formatted Fortran:\n# Fortran. In the later case the parser tries to guess whether the code is fixed\n# or free formatted code, this is the default for Fortran type files), VHDL. For\n# instance to make doxygen treat .inc files as Fortran files (default is PHP),\n# and .f files as C (default is Fortran), use: inc=Fortran f=C.\n#\n# Note: For files without extension you can use no_extension as a placeholder.\n#\n# Note that for custom extensions you also need to set FILE_PATTERNS otherwise\n# the files are not read by doxygen.\n\nEXTENSION_MAPPING =\n\n# If the MARKDOWN_SUPPORT tag is enabled then doxygen pre-processes all comments\n# according to the Markdown format, which allows for more readable\n# documentation. See http://daringfireball.net/projects/markdown/ for details.\n# The output of markdown processing is further processed by doxygen, so you can\n# mix doxygen, HTML, and XML commands with Markdown formatting. Disable only in\n# case of backward compatibilities issues.\n# The default value is: YES.\n\nMARKDOWN_SUPPORT = YES\n\n# When enabled doxygen tries to link words that correspond to documented\n# classes, or namespaces to their corresponding documentation. Such a link can\n# be prevented in individual cases by putting a % sign in front of the word or\n# globally by setting AUTOLINK_SUPPORT to NO.\n# The default value is: YES.\n\nAUTOLINK_SUPPORT = YES\n\n# If you use STL classes (i.e. std::string, std::vector, etc.) but do not want\n# to include (a tag file for) the STL sources as input, then you should set this\n# tag to YES in order to let doxygen match functions declarations and\n# definitions whose arguments contain STL classes (e.g. func(std::string);\n# versus func(std::string) {}). This also make the inheritance and collaboration\n# diagrams that involve STL classes more complete and accurate.\n# The default value is: NO.\n\nBUILTIN_STL_SUPPORT = NO\n\n# If you use Microsoft's C++/CLI language, you should set this option to YES to\n# enable parsing support.\n# The default value is: NO.\n\nCPP_CLI_SUPPORT = NO\n\n# Set the SIP_SUPPORT tag to YES if your project consists of sip (see:\n# http://www.riverbankcomputing.co.uk/software/sip/intro) sources only. Doxygen\n# will parse them like normal C++ but will assume all classes use public instead\n# of private inheritance when no explicit protection keyword is present.\n# The default value is: NO.\n\nSIP_SUPPORT = NO\n\n# For Microsoft's IDL there are propget and propput attributes to indicate\n# getter and setter methods for a property. Setting this option to YES will make\n# doxygen to replace the get and set methods by a property in the documentation.\n# This will only work if the methods are indeed getting or setting a simple\n# type. If this is not the case, or you want to show the methods anyway, you\n# should set this option to NO.\n# The default value is: YES.\n\nIDL_PROPERTY_SUPPORT = YES\n\n# If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC\n# tag is set to YES then doxygen will reuse the documentation of the first\n# member in the group (if any) for the other members of the group. By default\n# all members of a group must be documented explicitly.\n# The default value is: NO.\n\nDISTRIBUTE_GROUP_DOC = NO\n\n# Set the SUBGROUPING tag to YES to allow class member groups of the same type\n# (for instance a group of public functions) to be put as a subgroup of that\n# type (e.g. under the Public Functions section). Set it to NO to prevent\n# subgrouping. Alternatively, this can be done per class using the\n# \\nosubgrouping command.\n# The default value is: YES.\n\nSUBGROUPING = YES\n\n# When the INLINE_GROUPED_CLASSES tag is set to YES, classes, structs and unions\n# are shown inside the group in which they are included (e.g. using \\ingroup)\n# instead of on a separate page (for HTML and Man pages) or section (for LaTeX\n# and RTF).\n#\n# Note that this feature does not work in combination with\n# SEPARATE_MEMBER_PAGES.\n# The default value is: NO.\n\nINLINE_GROUPED_CLASSES = NO\n\n# When the INLINE_SIMPLE_STRUCTS tag is set to YES, structs, classes, and unions\n# with only public data fields or simple typedef fields will be shown inline in\n# the documentation of the scope in which they are defined (i.e. file,\n# namespace, or group documentation), provided this scope is documented. If set\n# to NO, structs, classes, and unions are shown on a separate page (for HTML and\n# Man pages) or section (for LaTeX and RTF).\n# The default value is: NO.\n\nINLINE_SIMPLE_STRUCTS = NO\n\n# When TYPEDEF_HIDES_STRUCT tag is enabled, a typedef of a struct, union, or\n# enum is documented as struct, union, or enum with the name of the typedef. So\n# typedef struct TypeS {} TypeT, will appear in the documentation as a struct\n# with name TypeT. When disabled the typedef will appear as a member of a file,\n# namespace, or class. And the struct will be named TypeS. This can typically be\n# useful for C code in case the coding convention dictates that all compound\n# types are typedef'ed and only the typedef is referenced, never the tag name.\n# The default value is: NO.\n\nTYPEDEF_HIDES_STRUCT = NO\n\n# The size of the symbol lookup cache can be set using LOOKUP_CACHE_SIZE. This\n# cache is used to resolve symbols given their name and scope. Since this can be\n# an expensive process and often the same symbol appears multiple times in the\n# code, doxygen keeps a cache of pre-resolved symbols. If the cache is too small\n# doxygen will become slower. If the cache is too large, memory is wasted. The\n# cache size is given by this formula: 2^(16+LOOKUP_CACHE_SIZE). The valid range\n# is 0..9, the default is 0, corresponding to a cache size of 2^16=65536\n# symbols. At the end of a run doxygen will report the cache usage and suggest\n# the optimal cache size from a speed point of view.\n# Minimum value: 0, maximum value: 9, default value: 0.\n\nLOOKUP_CACHE_SIZE = 0\n\n# The NUM_PROC_THREADS specifies the number of threads doxygen is allowed to use\n# during processing. When set to 0 doxygen will based this on the number of\n# cores available in the system. You can set it explicitly to a value larger\n# than 0 to get more control over the balance between CPU load and processing\n# speed. At this moment only the input processing can be done using multiple\n# threads. Since this is still an experimental feature the default is set to 1,\n# which effectively disables parallel processing. Please report any issues you\n# encounter. Generating dot graphs in parallel is controlled by the\n# DOT_NUM_THREADS setting.\n# Minimum value: 0, maximum value: 32, default value: 1.\n\nNUM_PROC_THREADS = 10\n\n#---------------------------------------------------------------------------\n# Build related configuration options\n#---------------------------------------------------------------------------\n\n# If the EXTRACT_ALL tag is set to YES, doxygen will assume all entities in\n# documentation are documented, even if no documentation was available. Private\n# class members and static file members will be hidden unless the\n# EXTRACT_PRIVATE respectively EXTRACT_STATIC tags are set to YES.\n# Note: This will also disable the warnings about undocumented members that are\n# normally produced when WARNINGS is set to YES.\n# The default value is: NO.\n\nEXTRACT_ALL = YES\n\n# If the EXTRACT_PRIVATE tag is set to YES, all private members of a class will\n# be included in the documentation.\n# The default value is: NO.\n\nEXTRACT_PRIVATE = YES\n\n# If the EXTRACT_PACKAGE tag is set to YES, all members with package or internal\n# scope will be included in the documentation.\n# The default value is: NO.\n\nEXTRACT_PACKAGE = NO\n\n# If the EXTRACT_STATIC tag is set to YES, all static members of a file will be\n# included in the documentation.\n# The default value is: NO.\n\nEXTRACT_STATIC = YES\n\n# If the EXTRACT_LOCAL_CLASSES tag is set to YES, classes (and structs) defined\n# locally in source files will be included in the documentation. If set to NO,\n# only classes defined in header files are included. Does not have any effect\n# for Java sources.\n# The default value is: YES.\n\nEXTRACT_LOCAL_CLASSES = YES\n\n# This flag is only useful for Objective-C code. If set to YES, local methods,\n# which are defined in the implementation section but not in the interface are\n# included in the documentation. If set to NO, only methods in the interface are\n# included.\n# The default value is: NO.\n\nEXTRACT_LOCAL_METHODS = NO\n\n# If this flag is set to YES, the members of anonymous namespaces will be\n# extracted and appear in the documentation as a namespace called\n# 'anonymous_namespace{file}', where file will be replaced with the base name of\n# the file that contains the anonymous namespace. By default anonymous namespace\n# are hidden.\n# The default value is: NO.\n\nEXTRACT_ANON_NSPACES = NO\n\n# If the HIDE_UNDOC_MEMBERS tag is set to YES, doxygen will hide all\n# undocumented members inside documented classes or files. If set to NO these\n# members will be included in the various overviews, but no documentation\n# section is generated. This option has no effect if EXTRACT_ALL is enabled.\n# The default value is: NO.\n\nHIDE_UNDOC_MEMBERS = NO\n\n# If the HIDE_UNDOC_CLASSES tag is set to YES, doxygen will hide all\n# undocumented classes that are normally visible in the class hierarchy. If set\n# to NO, these classes will be included in the various overviews. This option\n# has no effect if EXTRACT_ALL is enabled.\n# The default value is: NO.\n\nHIDE_UNDOC_CLASSES = NO\n\n# If the HIDE_FRIEND_COMPOUNDS tag is set to YES, doxygen will hide all friend\n# (class|struct|union) declarations. If set to NO, these declarations will be\n# included in the documentation.\n# The default value is: NO.\n\nHIDE_FRIEND_COMPOUNDS = NO\n\n# If the HIDE_IN_BODY_DOCS tag is set to YES, doxygen will hide any\n# documentation blocks found inside the body of a function. If set to NO, these\n# blocks will be appended to the function's detailed documentation block.\n# The default value is: NO.\n\nHIDE_IN_BODY_DOCS = NO\n\n# The INTERNAL_DOCS tag determines if documentation that is typed after a\n# \\internal command is included. If the tag is set to NO then the documentation\n# will be excluded. Set it to YES to include the internal documentation.\n# The default value is: NO.\n\nINTERNAL_DOCS = NO\n\n# If the CASE_SENSE_NAMES tag is set to NO then doxygen will only generate file\n# names in lower-case letters. If set to YES, upper-case letters are also\n# allowed. This is useful if you have classes or files whose names only differ\n# in case and if your file system supports case sensitive file names. Windows\n# and Mac users are advised to set this option to NO.\n# The default value is: system dependent.\n\nCASE_SENSE_NAMES = YES\n\n# If the HIDE_SCOPE_NAMES tag is set to NO then doxygen will show members with\n# their full class and namespace scopes in the documentation. If set to YES, the\n# scope will be hidden.\n# The default value is: NO.\n\nHIDE_SCOPE_NAMES = NO\n\n# If the HIDE_COMPOUND_REFERENCE tag is set to NO (default) then doxygen will\n# append additional text to a page's title, such as Class Reference. If set to\n# YES the compound reference will be hidden.\n# The default value is: NO.\n\nHIDE_COMPOUND_REFERENCE= NO\n\n# If the SHOW_INCLUDE_FILES tag is set to YES then doxygen will put a list of\n# the files that are included by a file in the documentation of that file.\n# The default value is: YES.\n\nSHOW_INCLUDE_FILES = YES\n\n# If the SHOW_GROUPED_MEMB_INC tag is set to YES then Doxygen will add for each\n# grouped member an include statement to the documentation, telling the reader\n# which file to include in order to use the member.\n# The default value is: NO.\n\nSHOW_GROUPED_MEMB_INC = NO\n\n# If the FORCE_LOCAL_INCLUDES tag is set to YES then doxygen will list include\n# files with double quotes in the documentation rather than with sharp brackets.\n# The default value is: NO.\n\nFORCE_LOCAL_INCLUDES = NO\n\n# If the INLINE_INFO tag is set to YES then a tag [inline] is inserted in the\n# documentation for inline members.\n# The default value is: YES.\n\nINLINE_INFO = YES\n\n# If the SORT_MEMBER_DOCS tag is set to YES then doxygen will sort the\n# (detailed) documentation of file and class members alphabetically by member\n# name. If set to NO, the members will appear in declaration order.\n# The default value is: YES.\n\nSORT_MEMBER_DOCS = YES\n\n# If the SORT_BRIEF_DOCS tag is set to YES then doxygen will sort the brief\n# descriptions of file, namespace and class members alphabetically by member\n# name. If set to NO, the members will appear in declaration order. Note that\n# this will also influence the order of the classes in the class list.\n# The default value is: NO.\n\nSORT_BRIEF_DOCS = YES\n\n# If the SORT_MEMBERS_CTORS_1ST tag is set to YES then doxygen will sort the\n# (brief and detailed) documentation of class members so that constructors and\n# destructors are listed first. If set to NO the constructors will appear in the\n# respective orders defined by SORT_BRIEF_DOCS and SORT_MEMBER_DOCS.\n# Note: If SORT_BRIEF_DOCS is set to NO this option is ignored for sorting brief\n# member documentation.\n# Note: If SORT_MEMBER_DOCS is set to NO this option is ignored for sorting\n# detailed member documentation.\n# The default value is: NO.\n\nSORT_MEMBERS_CTORS_1ST = YES\n\n# If the SORT_GROUP_NAMES tag is set to YES then doxygen will sort the hierarchy\n# of group names into alphabetical order. If set to NO the group names will\n# appear in their defined order.\n# The default value is: NO.\n\nSORT_GROUP_NAMES = NO\n\n# If the SORT_BY_SCOPE_NAME tag is set to YES, the class list will be sorted by\n# fully-qualified names, including namespaces. If set to NO, the class list will\n# be sorted only by class name, not including the namespace part.\n# Note: This option is not very useful if HIDE_SCOPE_NAMES is set to YES.\n# Note: This option applies only to the class list, not to the alphabetical\n# list.\n# The default value is: NO.\n\nSORT_BY_SCOPE_NAME = NO\n\n# If the STRICT_PROTO_MATCHING option is enabled and doxygen fails to do proper\n# type resolution of all parameters of a function it will reject a match between\n# the prototype and the implementation of a member function even if there is\n# only one candidate or it is obvious which candidate to choose by doing a\n# simple string match. By disabling STRICT_PROTO_MATCHING doxygen will still\n# accept a match between prototype and implementation in such cases.\n# The default value is: NO.\n\nSTRICT_PROTO_MATCHING = NO\n\n# The GENERATE_TODOLIST tag can be used to enable (YES) or disable (NO) the todo\n# list. This list is created by putting \\todo commands in the documentation.\n# The default value is: YES.\n\nGENERATE_TODOLIST = YES\n\n# The GENERATE_TESTLIST tag can be used to enable (YES) or disable (NO) the test\n# list. This list is created by putting \\test commands in the documentation.\n# The default value is: YES.\n\nGENERATE_TESTLIST = YES\n\n# The GENERATE_BUGLIST tag can be used to enable (YES) or disable (NO) the bug\n# list. This list is created by putting \\bug commands in the documentation.\n# The default value is: YES.\n\nGENERATE_BUGLIST = YES\n\n# The GENERATE_DEPRECATEDLIST tag can be used to enable (YES) or disable (NO)\n# the deprecated list. This list is created by putting \\deprecated commands in\n# the documentation.\n# The default value is: YES.\n\nGENERATE_DEPRECATEDLIST= YES\n\n# The ENABLED_SECTIONS tag can be used to enable conditional documentation\n# sections, marked by \\if ... \\endif and \\cond \n# ... \\endcond blocks.\n\nENABLED_SECTIONS =\n\n# The MAX_INITIALIZER_LINES tag determines the maximum number of lines that the\n# initial value of a variable or macro / define can have for it to appear in the\n# documentation. If the initializer consists of more lines than specified here\n# it will be hidden. Use a value of 0 to hide initializers completely. The\n# appearance of the value of individual variables and macros / defines can be\n# controlled using \\showinitializer or \\hideinitializer command in the\n# documentation regardless of this setting.\n# Minimum value: 0, maximum value: 10000, default value: 30.\n\nMAX_INITIALIZER_LINES = 30\n\n# Set the SHOW_USED_FILES tag to NO to disable the list of files generated at\n# the bottom of the documentation of classes and structs. If set to YES, the\n# list will mention the files that were used to generate the documentation.\n# The default value is: YES.\n\nSHOW_USED_FILES = YES\n\n# Set the SHOW_FILES tag to NO to disable the generation of the Files page. This\n# will remove the Files entry from the Quick Index and from the Folder Tree View\n# (if specified).\n# The default value is: YES.\n\nSHOW_FILES = YES\n\n# Set the SHOW_NAMESPACES tag to NO to disable the generation of the Namespaces\n# page. This will remove the Namespaces entry from the Quick Index and from the\n# Folder Tree View (if specified).\n# The default value is: YES.\n\nSHOW_NAMESPACES = YES\n\n# The FILE_VERSION_FILTER tag can be used to specify a program or script that\n# doxygen should invoke to get the current version for each file (typically from\n# the version control system). Doxygen will invoke the program by executing (via\n# popen()) the command command input-file, where command is the value of the\n# FILE_VERSION_FILTER tag, and input-file is the name of an input file provided\n# by doxygen. Whatever the program writes to standard output is used as the file\n# version. For an example see the documentation.\n\nFILE_VERSION_FILTER =\n\n# The LAYOUT_FILE tag can be used to specify a layout file which will be parsed\n# by doxygen. The layout file controls the global structure of the generated\n# output files in an output format independent way. To create the layout file\n# that represents doxygen's defaults, run doxygen with the -l option. You can\n# optionally specify a file name after the option, if omitted DoxygenLayout.xml\n# will be used as the name of the layout file.\n#\n# Note that if you run doxygen from a directory containing a file called\n# DoxygenLayout.xml, doxygen will parse it automatically even if the LAYOUT_FILE\n# tag is left empty.\n\nLAYOUT_FILE =\n\n# The CITE_BIB_FILES tag can be used to specify one or more bib files containing\n# the reference definitions. This must be a list of .bib files. The .bib\n# extension is automatically appended if omitted. This requires the bibtex tool\n# to be installed. See also http://en.wikipedia.org/wiki/BibTeX for more info.\n# For LaTeX the style of the bibliography can be controlled using\n# LATEX_BIB_STYLE. To use this feature you need bibtex and perl available in the\n# search path. See also \\cite for info how to create references.\n\nCITE_BIB_FILES =\n\n#---------------------------------------------------------------------------\n# Configuration options related to warning and progress messages\n#---------------------------------------------------------------------------\n\n# The QUIET tag can be used to turn on/off the messages that are generated to\n# standard output by doxygen. If QUIET is set to YES this implies that the\n# messages are off.\n# The default value is: NO.\n\nQUIET = NO\n\n# The WARNINGS tag can be used to turn on/off the warning messages that are\n# generated to standard error (stderr) by doxygen. If WARNINGS is set to YES\n# this implies that the warnings are on.\n#\n# Tip: Turn warnings on while writing the documentation.\n# The default value is: YES.\n\nWARNINGS = YES\n\n# If the WARN_IF_UNDOCUMENTED tag is set to YES then doxygen will generate\n# warnings for undocumented members. If EXTRACT_ALL is set to YES then this flag\n# will automatically be disabled.\n# The default value is: YES.\n\nWARN_IF_UNDOCUMENTED = YES\n\n# If the WARN_IF_DOC_ERROR tag is set to YES, doxygen will generate warnings for\n# potential errors in the documentation, such as not documenting some parameters\n# in a documented function, or documenting parameters that don't exist or using\n# markup commands wrongly.\n# The default value is: YES.\n\nWARN_IF_DOC_ERROR = YES\n\n# This WARN_NO_PARAMDOC option can be enabled to get warnings for functions that\n# are documented, but have no documentation for their parameters or return\n# value. If set to NO, doxygen will only warn about wrong or incomplete\n# parameter documentation, but not about the absence of documentation.\n# The default value is: NO.\n\nWARN_NO_PARAMDOC = YES\n\n# The WARN_FORMAT tag determines the format of the warning messages that doxygen\n# can produce. The string should contain the $file, $line, and $text tags, which\n# will be replaced by the file and line number from which the warning originated\n# and the warning text. Optionally the format may contain $version, which will\n# be replaced by the version of the file (if it could be obtained via\n# FILE_VERSION_FILTER)\n# The default value is: $file:$line: $text.\n\nWARN_FORMAT = \"$file:$line: $text\"\n\n# The WARN_LOGFILE tag can be used to specify a file to which warning and error\n# messages should be written. If left blank the output is written to standard\n# error (stderr).\n\nWARN_LOGFILE = doxygen-warnings.txt\n\n#---------------------------------------------------------------------------\n# Configuration options related to the input files\n#---------------------------------------------------------------------------\n\n# The INPUT tag is used to specify the files and/or directories that contain\n# documented source files. You may enter file names like myfile.cpp or\n# directories like /usr/src/myproject. Separate the files or directories with\n# spaces.\n# Note: If this tag is empty the current directory is searched.\n\nINPUT = \"@PROJECT_SOURCE_DIR@/doc\" \\\n \"@PROJECT_SOURCE_DIR@/src\" \\\n \"@PROJECT_SOURCE_DIR@/bin\"\n\n# This tag can be used to specify the character encoding of the source files\n# that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses\n# libiconv (or the iconv built into libc) for the transcoding. See the libiconv\n# documentation (see: http://www.gnu.org/software/libiconv) for the list of\n# possible encodings.\n# The default value is: UTF-8.\n\nINPUT_ENCODING = UTF-8\n\n# If the value of the INPUT tag contains directories, you can use the\n# FILE_PATTERNS tag to specify one or more wildcard patterns (like *.cpp and\n# *.h) to filter out the source-files in the directories. If left blank the\n# following patterns are tested:*.c, *.cc, *.cxx, *.cpp, *.c++, *.java, *.ii,\n# *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h, *.hh, *.hxx, *.hpp,\n# *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc, *.m, *.markdown,\n# *.md, *.mm, *.dox, *.py, *.f90, *.f, *.for, *.tcl, *.vhd, *.vhdl, *.ucf,\n# *.qsf, *.as and *.js.\n\nFILE_PATTERNS = *.dox \\\n *.h \\\n *.cpp \\\n *.cc \\\n *.c\n\n# The RECURSIVE tag can be used to specify whether or not subdirectories should\n# be searched for input files as well.\n# The default value is: NO.\n\nRECURSIVE = YES\n\n# The EXCLUDE tag can be used to specify files and/or directories that should be\n# excluded from the INPUT source files. This way you can easily exclude a\n# subdirectory from a directory tree whose root is specified with the INPUT tag.\n#\n# Note that relative paths are relative to the directory from which doxygen is\n# run.\n\nEXCLUDE = \"@PROJECT_SOURCE_DIR@/src/madness/external\" \\\n \"@PROJECT_SOURCE_DIR@/src/apps/DFcode\" \\\n \"@PROJECT_SOURCE_DIR@/src/apps/ii\" \\\n \"@PROJECT_SOURCE_DIR@/src/apps/jacob\" \\\n \"@PROJECT_SOURCE_DIR@/src/apps/nick\" \\\n \"@PROJECT_SOURCE_DIR@/src/apps/polar\" \n\n# The EXCLUDE_SYMLINKS tag can be used to select whether or not files or\n# directories that are symbolic links (a Unix file system feature) are excluded\n# from the input.\n# The default value is: NO.\n\nEXCLUDE_SYMLINKS = NO\n\n# If the value of the INPUT tag contains directories, you can use the\n# EXCLUDE_PATTERNS tag to specify one or more wildcard patterns to exclude\n# certain files from those directories.\n#\n# Note that the wildcards are matched against the file with absolute path, so to\n# exclude all test directories for example use the pattern */test/*\n\nEXCLUDE_PATTERNS = LIBS.h \\\n mraX.cc \\\n mraX.h \\\n *.tex \n\n# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names\n# (namespaces, classes, functions, etc.) that should be excluded from the\n# output. The symbol name can be a fully qualified name, a word, or if the\n# wildcard * is used, a substring. Examples: ANamespace, AClass,\n# AClass::ANamespace, ANamespace::*Test\n#\n# Note that the wildcards are matched against the file with absolute path, so to\n# exclude all test directories use the pattern */test/*\n\nEXCLUDE_SYMBOLS =\n\n# The EXAMPLE_PATH tag can be used to specify one or more files or directories\n# that contain example code fragments that are included (see the \\include\n# command).\n\nEXAMPLE_PATH =\n\n# If the value of the EXAMPLE_PATH tag contains directories, you can use the\n# EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp and\n# *.h) to filter out the source-files in the directories. If left blank all\n# files are included.\n\nEXAMPLE_PATTERNS =\n\n# If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be\n# searched for input files to be used with the \\include or \\dontinclude commands\n# irrespective of the value of the RECURSIVE tag.\n# The default value is: NO.\n\nEXAMPLE_RECURSIVE = NO\n\n# The IMAGE_PATH tag can be used to specify one or more files or directories\n# that contain images that are to be included in the documentation (see the\n# \\image command).\n\nIMAGE_PATH =\n\n# The INPUT_FILTER tag can be used to specify a program that doxygen should\n# invoke to filter for each input file. Doxygen will invoke the filter program\n# by executing (via popen()) the command:\n#\n# \n#\n# where is the value of the INPUT_FILTER tag, and is the\n# name of an input file. Doxygen will then use the output that the filter\n# program writes to standard output. If FILTER_PATTERNS is specified, this tag\n# will be ignored.\n#\n# Note that the filter must not add or remove lines; it is applied before the\n# code is scanned, but not when the output code is generated. If lines are added\n# or removed, the anchors will not be placed correctly.\n\nINPUT_FILTER =\n\n# The FILTER_PATTERNS tag can be used to specify filters on a per file pattern\n# basis. Doxygen will compare the file name with each pattern and apply the\n# filter if there is a match. The filters are a list of the form: pattern=filter\n# (like *.cpp=my_cpp_filter). See INPUT_FILTER for further information on how\n# filters are used. If the FILTER_PATTERNS tag is empty or if none of the\n# patterns match the file name, INPUT_FILTER is applied.\n\nFILTER_PATTERNS =\n\n# If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using\n# INPUT_FILTER) will also be used to filter the input files that are used for\n# producing the source files to browse (i.e. when SOURCE_BROWSER is set to YES).\n# The default value is: NO.\n\nFILTER_SOURCE_FILES = NO\n\n# The FILTER_SOURCE_PATTERNS tag can be used to specify source filters per file\n# pattern. A pattern will override the setting for FILTER_PATTERN (if any) and\n# it is also possible to disable source filtering for a specific pattern using\n# *.ext= (so without naming a filter).\n# This tag requires that the tag FILTER_SOURCE_FILES is set to YES.\n\nFILTER_SOURCE_PATTERNS =\n\n# If the USE_MDFILE_AS_MAINPAGE tag refers to the name of a markdown file that\n# is part of the input, its contents will be placed on the main page\n# (index.html). This can be useful if you have a project on for instance GitHub\n# and want to reuse the introduction page also for the doxygen output.\n\nUSE_MDFILE_AS_MAINPAGE =\n\n#---------------------------------------------------------------------------\n# Configuration options related to source browsing\n#---------------------------------------------------------------------------\n\n# If the SOURCE_BROWSER tag is set to YES then a list of source files will be\n# generated. Documented entities will be cross-referenced with these sources.\n#\n# Note: To get rid of all source code in the generated output, make sure that\n# also VERBATIM_HEADERS is set to NO.\n# The default value is: NO.\n\nSOURCE_BROWSER = NO\n\n# Setting the INLINE_SOURCES tag to YES will include the body of functions,\n# classes and enums directly into the documentation.\n# The default value is: NO.\n\nINLINE_SOURCES = NO\n\n# Setting the STRIP_CODE_COMMENTS tag to YES will instruct doxygen to hide any\n# special comment blocks from generated source code fragments. Normal C, C++ and\n# Fortran comments will always remain visible.\n# The default value is: YES.\n\nSTRIP_CODE_COMMENTS = NO\n\n# If the REFERENCED_BY_RELATION tag is set to YES then for each documented\n# function all documented functions referencing it will be listed.\n# The default value is: NO.\n\nREFERENCED_BY_RELATION = YES\n\n# If the REFERENCES_RELATION tag is set to YES then for each documented function\n# all documented entities called/used by that function will be listed.\n# The default value is: NO.\n\nREFERENCES_RELATION = YES\n\n# If the REFERENCES_LINK_SOURCE tag is set to YES and SOURCE_BROWSER tag is set\n# to YES then the hyperlinks from functions in REFERENCES_RELATION and\n# REFERENCED_BY_RELATION lists will link to the source code. Otherwise they will\n# link to the documentation.\n# The default value is: YES.\n\nREFERENCES_LINK_SOURCE = YES\n\n# If SOURCE_TOOLTIPS is enabled (the default) then hovering a hyperlink in the\n# source code will show a tooltip with additional information such as prototype,\n# brief description and links to the definition and documentation. Since this\n# will make the HTML file larger and loading of large files a bit slower, you\n# can opt to disable this feature.\n# The default value is: YES.\n# This tag requires that the tag SOURCE_BROWSER is set to YES.\n\nSOURCE_TOOLTIPS = YES\n\n# If the USE_HTAGS tag is set to YES then the references to source code will\n# point to the HTML generated by the htags(1) tool instead of doxygen built-in\n# source browser. The htags tool is part of GNU's global source tagging system\n# (see http://www.gnu.org/software/global/global.html). You will need version\n# 4.8.6 or higher.\n#\n# To use it do the following:\n# - Install the latest version of global\n# - Enable SOURCE_BROWSER and USE_HTAGS in the config file\n# - Make sure the INPUT points to the root of the source tree\n# - Run doxygen as normal\n#\n# Doxygen will invoke htags (and that will in turn invoke gtags), so these\n# tools must be available from the command line (i.e. in the search path).\n#\n# The result: instead of the source browser generated by doxygen, the links to\n# source code will now point to the output of htags.\n# The default value is: NO.\n# This tag requires that the tag SOURCE_BROWSER is set to YES.\n\nUSE_HTAGS = NO\n\n# If the VERBATIM_HEADERS tag is set the YES then doxygen will generate a\n# verbatim copy of the header file for each class for which an include is\n# specified. Set to NO to disable this.\n# See also: Section \\class.\n# The default value is: YES.\n\nVERBATIM_HEADERS = YES\n\n#---------------------------------------------------------------------------\n# Configuration options related to the alphabetical class index\n#---------------------------------------------------------------------------\n\n# If the ALPHABETICAL_INDEX tag is set to YES, an alphabetical index of all\n# compounds will be generated. Enable this if the project contains a lot of\n# classes, structs, unions or interfaces.\n# The default value is: YES.\n\nALPHABETICAL_INDEX = NO\n\n# The COLS_IN_ALPHA_INDEX tag can be used to specify the number of columns in\n# which the alphabetical index list will be split.\n# Minimum value: 1, maximum value: 20, default value: 5.\n# This tag requires that the tag ALPHABETICAL_INDEX is set to YES.\n\nCOLS_IN_ALPHA_INDEX = 5\n\n# In case all classes in a project start with a common prefix, all classes will\n# be put under the same header in the alphabetical index. The IGNORE_PREFIX tag\n# can be used to specify a prefix (or a list of prefixes) that should be ignored\n# while generating the index headers.\n# This tag requires that the tag ALPHABETICAL_INDEX is set to YES.\n\nIGNORE_PREFIX =\n\n#---------------------------------------------------------------------------\n# Configuration options related to the HTML output\n#---------------------------------------------------------------------------\n\n# If the GENERATE_HTML tag is set to YES, doxygen will generate HTML output\n# The default value is: YES.\n\nGENERATE_HTML = YES\n\n# The HTML_OUTPUT tag is used to specify where the HTML docs will be put. If a\n# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of\n# it.\n# The default directory is: html.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_OUTPUT = html\n\n# The HTML_FILE_EXTENSION tag can be used to specify the file extension for each\n# generated HTML page (for example: .htm, .php, .asp).\n# The default value is: .html.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_FILE_EXTENSION = .html\n\n# The HTML_HEADER tag can be used to specify a user-defined HTML header file for\n# each generated HTML page. If the tag is left blank doxygen will generate a\n# standard header.\n#\n# To get valid HTML the header file that includes any scripts and style sheets\n# that doxygen needs, which is dependent on the configuration options used (e.g.\n# the setting GENERATE_TREEVIEW). It is highly recommended to start with a\n# default header using\n# doxygen -w html new_header.html new_footer.html new_stylesheet.css\n# YourConfigFile\n# and then modify the file new_header.html. See also section \"Doxygen usage\"\n# for information on how to generate the default header that doxygen normally\n# uses.\n# Note: The header is subject to change so you typically have to regenerate the\n# default header when upgrading to a newer version of doxygen. For a description\n# of the possible markers and block names see the documentation.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_HEADER =\n\n# The HTML_FOOTER tag can be used to specify a user-defined HTML footer for each\n# generated HTML page. If the tag is left blank doxygen will generate a standard\n# footer. See HTML_HEADER for more information on how to generate a default\n# footer and what special commands can be used inside the footer. See also\n# section \"Doxygen usage\" for information on how to generate the default footer\n# that doxygen normally uses.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_FOOTER =\n\n# The HTML_STYLESHEET tag can be used to specify a user-defined cascading style\n# sheet that is used by each HTML page. It can be used to fine-tune the look of\n# the HTML output. If left blank doxygen will generate a default style sheet.\n# See also section \"Doxygen usage\" for information on how to generate the style\n# sheet that doxygen normally uses.\n# Note: It is recommended to use HTML_EXTRA_STYLESHEET instead of this tag, as\n# it is more robust and this tag (HTML_STYLESHEET) will in the future become\n# obsolete.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_STYLESHEET =\n\n# The HTML_EXTRA_STYLESHEET tag can be used to specify additional user-defined\n# cascading style sheets that are included after the standard style sheets\n# created by doxygen. Using this option one can overrule certain style aspects.\n# This is preferred over using HTML_STYLESHEET since it does not replace the\n# standard style sheet and is therefore more robust against future updates.\n# Doxygen will copy the style sheet files to the output directory.\n# Note: The order of the extra style sheet files is of importance (e.g. the last\n# style sheet in the list overrules the setting of the previous ones in the\n# list). For an example see the documentation.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_EXTRA_STYLESHEET =\n\n# The HTML_EXTRA_FILES tag can be used to specify one or more extra images or\n# other source files which should be copied to the HTML output directory. Note\n# that these files will be copied to the base HTML output directory. Use the\n# $relpath^ marker in the HTML_HEADER and/or HTML_FOOTER files to load these\n# files. In the HTML_STYLESHEET file, use the file name only. Also note that the\n# files will be copied as-is; there are no commands or markers available.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_EXTRA_FILES =\n\n# The HTML_COLORSTYLE_HUE tag controls the color of the HTML output. Doxygen\n# will adjust the colors in the style sheet and background images according to\n# this color. Hue is specified as an angle on a colorwheel, see\n# http://en.wikipedia.org/wiki/Hue for more information. For instance the value\n# 0 represents red, 60 is yellow, 120 is green, 180 is cyan, 240 is blue, 300\n# purple, and 360 is red again.\n# Minimum value: 0, maximum value: 359, default value: 220.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_COLORSTYLE_HUE = 220\n\n# The HTML_COLORSTYLE_SAT tag controls the purity (or saturation) of the colors\n# in the HTML output. For a value of 0 the output will use grayscales only. A\n# value of 255 will produce the most vivid colors.\n# Minimum value: 0, maximum value: 255, default value: 100.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_COLORSTYLE_SAT = 100\n\n# The HTML_COLORSTYLE_GAMMA tag controls the gamma correction applied to the\n# luminance component of the colors in the HTML output. Values below 100\n# gradually make the output lighter, whereas values above 100 make the output\n# darker. The value divided by 100 is the actual gamma applied, so 80 represents\n# a gamma of 0.8, The value 220 represents a gamma of 2.2, and 100 does not\n# change the gamma.\n# Minimum value: 40, maximum value: 240, default value: 80.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_COLORSTYLE_GAMMA = 80\n\n# If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML\n# page will contain the date and time when the page was generated. Setting this\n# to NO can help when comparing the output of multiple runs.\n# The default value is: YES.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_TIMESTAMP = YES\n\n# If the HTML_DYNAMIC_SECTIONS tag is set to YES then the generated HTML\n# documentation will contain sections that can be hidden and shown after the\n# page has loaded.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_DYNAMIC_SECTIONS = NO\n\n# With HTML_INDEX_NUM_ENTRIES one can control the preferred number of entries\n# shown in the various tree structured indices initially; the user can expand\n# and collapse entries dynamically later on. Doxygen will expand the tree to\n# such a level that at most the specified number of entries are visible (unless\n# a fully collapsed tree already exceeds this amount). So setting the number of\n# entries 1 will produce a full collapsed tree by default. 0 is a special value\n# representing an infinite number of entries and will result in a full expanded\n# tree by default.\n# Minimum value: 0, maximum value: 9999, default value: 100.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nHTML_INDEX_NUM_ENTRIES = 100\n\n# If the GENERATE_DOCSET tag is set to YES, additional index files will be\n# generated that can be used as input for Apple's Xcode 3 integrated development\n# environment (see: http://developer.apple.com/tools/xcode/), introduced with\n# OSX 10.5 (Leopard). To create a documentation set, doxygen will generate a\n# Makefile in the HTML output directory. Running make will produce the docset in\n# that directory and running make install will install the docset in\n# ~/Library/Developer/Shared/Documentation/DocSets so that Xcode will find it at\n# startup. See http://developer.apple.com/tools/creatingdocsetswithdoxygen.html\n# for more information.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nGENERATE_DOCSET = NO\n\n# This tag determines the name of the docset feed. A documentation feed provides\n# an umbrella under which multiple documentation sets from a single provider\n# (such as a company or product suite) can be grouped.\n# The default value is: Doxygen generated docs.\n# This tag requires that the tag GENERATE_DOCSET is set to YES.\n\nDOCSET_FEEDNAME = \"Doxygen generated docs\"\n\n# This tag specifies a string that should uniquely identify the documentation\n# set bundle. This should be a reverse domain-name style string, e.g.\n# com.mycompany.MyDocSet. Doxygen will append .docset to the name.\n# The default value is: org.doxygen.Project.\n# This tag requires that the tag GENERATE_DOCSET is set to YES.\n\nDOCSET_BUNDLE_ID = org.doxygen.Project\n\n# The DOCSET_PUBLISHER_ID tag specifies a string that should uniquely identify\n# the documentation publisher. This should be a reverse domain-name style\n# string, e.g. com.mycompany.MyDocSet.documentation.\n# The default value is: org.doxygen.Publisher.\n# This tag requires that the tag GENERATE_DOCSET is set to YES.\n\nDOCSET_PUBLISHER_ID = org.doxygen.Publisher\n\n# The DOCSET_PUBLISHER_NAME tag identifies the documentation publisher.\n# The default value is: Publisher.\n# This tag requires that the tag GENERATE_DOCSET is set to YES.\n\nDOCSET_PUBLISHER_NAME = Publisher\n\n# If the GENERATE_HTMLHELP tag is set to YES then doxygen generates three\n# additional HTML index files: index.hhp, index.hhc, and index.hhk. The\n# index.hhp is a project file that can be read by Microsoft's HTML Help Workshop\n# (see: http://www.microsoft.com/en-us/download/details.aspx?id=21138) on\n# Windows.\n#\n# The HTML Help Workshop contains a compiler that can convert all HTML output\n# generated by doxygen into a single compiled HTML file (.chm). Compiled HTML\n# files are now used as the Windows 98 help format, and will replace the old\n# Windows help format (.hlp) on all Windows platforms in the future. Compressed\n# HTML files also contain an index, a table of contents, and you can search for\n# words in the documentation. The HTML workshop also contains a viewer for\n# compressed HTML files.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nGENERATE_HTMLHELP = NO\n\n# The CHM_FILE tag can be used to specify the file name of the resulting .chm\n# file. You can add a path in front of the file if the result should not be\n# written to the html output directory.\n# This tag requires that the tag GENERATE_HTMLHELP is set to YES.\n\nCHM_FILE =\n\n# The HHC_LOCATION tag can be used to specify the location (absolute path\n# including file name) of the HTML help compiler (hhc.exe). If non-empty,\n# doxygen will try to run the HTML help compiler on the generated index.hhp.\n# The file has to be specified with full path.\n# This tag requires that the tag GENERATE_HTMLHELP is set to YES.\n\nHHC_LOCATION =\n\n# The GENERATE_CHI flag controls if a separate .chi index file is generated\n# (YES) or that it should be included in the master .chm file (NO).\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTMLHELP is set to YES.\n\nGENERATE_CHI = NO\n\n# The CHM_INDEX_ENCODING is used to encode HtmlHelp index (hhk), content (hhc)\n# and project file content.\n# This tag requires that the tag GENERATE_HTMLHELP is set to YES.\n\nCHM_INDEX_ENCODING =\n\n# The BINARY_TOC flag controls whether a binary table of contents is generated\n# (YES) or a normal table of contents (NO) in the .chm file. Furthermore it\n# enables the Previous and Next buttons.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTMLHELP is set to YES.\n\nBINARY_TOC = NO\n\n# The TOC_EXPAND flag can be set to YES to add extra items for group members to\n# the table of contents of the HTML help documentation and to the tree view.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTMLHELP is set to YES.\n\nTOC_EXPAND = NO\n\n# If the GENERATE_QHP tag is set to YES and both QHP_NAMESPACE and\n# QHP_VIRTUAL_FOLDER are set, an additional index file will be generated that\n# can be used as input for Qt's qhelpgenerator to generate a Qt Compressed Help\n# (.qch) of the generated HTML documentation.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nGENERATE_QHP = NO\n\n# If the QHG_LOCATION tag is specified, the QCH_FILE tag can be used to specify\n# the file name of the resulting .qch file. The path specified is relative to\n# the HTML output folder.\n# This tag requires that the tag GENERATE_QHP is set to YES.\n\nQCH_FILE =\n\n# The QHP_NAMESPACE tag specifies the namespace to use when generating Qt Help\n# Project output. For more information please see Qt Help Project / Namespace\n# (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#namespace).\n# The default value is: org.doxygen.Project.\n# This tag requires that the tag GENERATE_QHP is set to YES.\n\nQHP_NAMESPACE =\n\n# The QHP_VIRTUAL_FOLDER tag specifies the namespace to use when generating Qt\n# Help Project output. For more information please see Qt Help Project / Virtual\n# Folders (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#virtual-\n# folders).\n# The default value is: doc.\n# This tag requires that the tag GENERATE_QHP is set to YES.\n\nQHP_VIRTUAL_FOLDER = doc\n\n# If the QHP_CUST_FILTER_NAME tag is set, it specifies the name of a custom\n# filter to add. For more information please see Qt Help Project / Custom\n# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom-\n# filters).\n# This tag requires that the tag GENERATE_QHP is set to YES.\n\nQHP_CUST_FILTER_NAME =\n\n# The QHP_CUST_FILTER_ATTRS tag specifies the list of the attributes of the\n# custom filter to add. For more information please see Qt Help Project / Custom\n# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom-\n# filters).\n# This tag requires that the tag GENERATE_QHP is set to YES.\n\nQHP_CUST_FILTER_ATTRS =\n\n# The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this\n# project's filter section matches. Qt Help Project / Filter Attributes (see:\n# http://qt-project.org/doc/qt-4.8/qthelpproject.html#filter-attributes).\n# This tag requires that the tag GENERATE_QHP is set to YES.\n\nQHP_SECT_FILTER_ATTRS =\n\n# The QHG_LOCATION tag can be used to specify the location of Qt's\n# qhelpgenerator. If non-empty doxygen will try to run qhelpgenerator on the\n# generated .qhp file.\n# This tag requires that the tag GENERATE_QHP is set to YES.\n\nQHG_LOCATION =\n\n# If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files will be\n# generated, together with the HTML files, they form an Eclipse help plugin. To\n# install this plugin and make it available under the help contents menu in\n# Eclipse, the contents of the directory containing the HTML and XML files needs\n# to be copied into the plugins directory of eclipse. The name of the directory\n# within the plugins directory should be the same as the ECLIPSE_DOC_ID value.\n# After copying Eclipse needs to be restarted before the help appears.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nGENERATE_ECLIPSEHELP = NO\n\n# A unique identifier for the Eclipse help plugin. When installing the plugin\n# the directory name containing the HTML and XML files should also have this\n# name. Each documentation set should have its own identifier.\n# The default value is: org.doxygen.Project.\n# This tag requires that the tag GENERATE_ECLIPSEHELP is set to YES.\n\nECLIPSE_DOC_ID = org.doxygen.Project\n\n# If you want full control over the layout of the generated HTML pages it might\n# be necessary to disable the index and replace it with your own. The\n# DISABLE_INDEX tag can be used to turn on/off the condensed index (tabs) at top\n# of each HTML page. A value of NO enables the index and the value YES disables\n# it. Since the tabs in the index contain the same information as the navigation\n# tree, you can set this option to YES if you also set GENERATE_TREEVIEW to YES.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nDISABLE_INDEX = NO\n\n# The GENERATE_TREEVIEW tag is used to specify whether a tree-like index\n# structure should be generated to display hierarchical information. If the tag\n# value is set to YES, a side panel will be generated containing a tree-like\n# index structure (just like the one that is generated for HTML Help). For this\n# to work a browser that supports JavaScript, DHTML, CSS and frames is required\n# (i.e. any modern browser). Windows users are probably better off using the\n# HTML help feature. Via custom style sheets (see HTML_EXTRA_STYLESHEET) one can\n# further fine-tune the look of the index. As an example, the default style\n# sheet generated by doxygen has an example that shows how to put an image at\n# the root of the tree instead of the PROJECT_NAME. Since the tree basically has\n# the same information as the tab index, you could consider setting\n# DISABLE_INDEX to YES when enabling this option.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nGENERATE_TREEVIEW = NO\n\n# The ENUM_VALUES_PER_LINE tag can be used to set the number of enum values that\n# doxygen will group on one line in the generated HTML documentation.\n#\n# Note that a value of 0 will completely suppress the enum values from appearing\n# in the overview section.\n# Minimum value: 0, maximum value: 20, default value: 4.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nENUM_VALUES_PER_LINE = 4\n\n# If the treeview is enabled (see GENERATE_TREEVIEW) then this tag can be used\n# to set the initial width (in pixels) of the frame in which the tree is shown.\n# Minimum value: 0, maximum value: 1500, default value: 250.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nTREEVIEW_WIDTH = 250\n\n# If the EXT_LINKS_IN_WINDOW option is set to YES, doxygen will open links to\n# external symbols imported via tag files in a separate window.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nEXT_LINKS_IN_WINDOW = NO\n\n# Use this tag to change the font size of LaTeX formulas included as images in\n# the HTML documentation. When you change the font size after a successful\n# doxygen run you need to manually remove any form_*.png images from the HTML\n# output directory to force them to be regenerated.\n# Minimum value: 8, maximum value: 50, default value: 10.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nFORMULA_FONTSIZE = 10\n\n# Use the FORMULA_TRANPARENT tag to determine whether or not the images\n# generated for formulas are transparent PNGs. Transparent PNGs are not\n# supported properly for IE 6.0, but are supported on all modern browsers.\n#\n# Note that when changing this option you need to delete any form_*.png files in\n# the HTML output directory before the changes have effect.\n# The default value is: YES.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nFORMULA_TRANSPARENT = YES\n\n# Enable the USE_MATHJAX option to render LaTeX formulas using MathJax (see\n# http://www.mathjax.org) which uses client side Javascript for the rendering\n# instead of using pre-rendered bitmaps. Use this if you do not have LaTeX\n# installed or if you want to formulas look prettier in the HTML output. When\n# enabled you may also need to install MathJax separately and configure the path\n# to it using the MATHJAX_RELPATH option.\n# The default value is: NO.\n# This tag requires that the tag GENERATE_HTML is set to YES.\n\nUSE_MATHJAX = NO\n\n# When MathJax is enabled you can set the default output format to be used for\n# the MathJax output. See the MathJax site (see:\n# http://docs.mathjax.org/en/latest/output.html) for more details.\n# Possible values are: HTML-CSS (which is slower, but has the best\n# compatibility), NativeMML (i.e. MathML) and SVG.\n# The default value is: HTML-CSS.\n# This tag requires that the tag USE_MATHJAX is set to YES.\n\nMATHJAX_FORMAT = HTML-CSS\n\n# When MathJax is enabled you need to specify the location relative to the HTML\n# output directory using the MATHJAX_RELPATH option. The destination directory\n# should contain the MathJax.js script. For instance, if the mathjax directory\n# is located at the same level as the HTML output directory, then\n# MATHJAX_RELPATH should be ../mathjax. The default value points to the MathJax\n# Content Delivery Network so you can quickly see the result without installing\n# MathJax. However, it is strongly recommended to install a local copy of\n# MathJax from http://www.mathjax.org before deployment.\n# The default value is: http://cdn.mathjax.org/mathjax/latest.\n# This tag requires that the tag USE_MATHJAX is set to YES.\n\nMATHJAX_RELPATH = http://cdn.mathjax.org/mathjax/latest\n\n# The MATHJAX_EXTENSIONS tag can be used to specify one or more MathJax\n# extension names that should be enabled during MathJax rendering. For example\n# MATHJAX_EXTENSIONS = TeX/AMSmath TeX/AMSsymbols\n# This tag requires that the tag USE_MATHJAX is set to YES.\n\nMATHJAX_EXTENSIONS =\n\n# The MATHJAX_CODEFILE tag can be used to specify a file with javascript pieces\n# of code that will be used on startup of the MathJax code. See the MathJax site\n# (see: http://docs.mathjax.org/en/latest/output.html) for more details. For an\n# example see the documentation.\n# This tag requires that the tag USE_MATHJAX is set to YES.\n\nMATHJAX_CODEFILE =\n\n# When the SEARCHENGINE tag is enabled doxygen will generate a search box for\n# the HTML output. The underlying search engine uses javascript and DHTML and\n# should work on any modern browser. Note that when using HTML help\n# (GENERATE_HTMLHELP), Qt help (GENERATE_QHP), or docsets (GENERATE_DOCSET)\n# there is already a search function so this one should typically be disabled.\n# For large projects the javascript based search engine can be slow, then\n# enabling SERVER_BASED_SEARCH may provide a better solution. It is possible to\n# search using the keyboard; to jump to the search box use + S\n# (what the is depends on the OS and browser, but it is typically\n# , /