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‎CMakeLists.txt

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@@ -701,8 +701,12 @@ endif(HDF5_FOUND)
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#-------------------------------------------------------------------
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# set up libboost library, header only
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#-------------------------------------------------------------------
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set(Boost_NO_BOOST_CMAKE on)
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find_package(Boost 1.61.0 REQUIRED)
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if(CMAKE_VERSION VERSION_LESS 3.30.0)
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set(Boost_NO_BOOST_CMAKE on)
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find_package(Boost 1.61.0 REQUIRED)
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else()
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find_package(Boost 1.70.0 CONFIG REQUIRED headers)
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endif()
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if(Boost_FOUND)
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target_compile_definitions(Boost::boost INTERFACE "HAVE_LIBBOOST")
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message(STATUS "Setting Boost_INCLUDE_DIRS=${Boost_INCLUDE_DIRS}")

‎README.md

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@@ -49,7 +49,7 @@ P. Kent _et al._ J. Chem. Phys. **152** 174105 (2020), https://doi.org/10.1063/5
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* BLAS/LAPACK, numerical library. Use vendor and platform-optimized libraries.
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* LibXml2, XML parser, http://xmlsoft.org/
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* HDF5 v1.10.0 or later, portable I/O library, http://www.hdfgroup.org/HDF5/
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* BOOST v1.61.0 or newer, peer-reviewed portable C++ source libraries, http://www.boost.org
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* BOOST v1.70.0 or newer, peer-reviewed portable C++ source libraries, http://www.boost.org
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* FFTW, FFT library, http://www.fftw.org/
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* MPI, parallel library. Optional, but a near requirement for production calculations.
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* Python3. Older versions are not supported as of January 2020.

‎docs/installation.rst

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performance at large scale requires parallel version :math:`>=` 1.10.
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- BOOST, peer-reviewed portable C++ source libraries
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(http://www.boost.org). Minimum version is 1.61.0.
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(http://www.boost.org). Minimum version is 1.70.0 and only needs ``headers`` library.
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- FFTW, FFT library (http://www.fftw.org/).
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‎external_codes/boost_multi/README

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command to update subtree to v0.80.1 tag. Run from top level QMCPACK source directory
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git subtree pull --squash -P external_codes/boost_multi/multi https://gitlab.com/correaa/boost-multi.git v0.80.1
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git subtree pull --squash -P external_codes/boost_multi/multi https://gitlab.com/correaa/boost-multi.git v0.86.0

‎external_codes/boost_multi/multi/.clang-format

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# https://clang-format-configurator.site
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# Copyright 2020-2024 Alfredo A. Correa
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---
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Language: Cpp
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# BasedOnStyle: Google
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#AccessModifierOffset: -1
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AlignAfterOpenBracket: BlockIndent # Align
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Language: Cpp
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AccessModifierOffset: -3
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AlignAfterOpenBracket: BlockIndent
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AlignArrayOfStructures: Right
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#AlignConsecutiveMacros: None
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AlignConsecutiveAssignments: Consecutive # None
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#AlignConsecutiveBitFields: None
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AlignConsecutiveDeclarations: Consecutive
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#AlignEscapedNewlines: Left
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AlignOperands: AlignAfterOperator
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AlignTrailingComments: false
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#AllowAllArgumentsOnNextLine: true
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#AllowAllParametersOfDeclarationOnNextLine: true
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#AllowShortEnumsOnASingleLine: true
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#AllowShortBlocksOnASingleLine: Never
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AllowShortCaseLabelsOnASingleLine: true # false
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#AllowShortFunctionsOnASingleLine: All
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#AllowShortLambdasOnASingleLine: All
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#AllowShortIfStatementsOnASingleLine: WithoutElse
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#AllowShortLoopsOnASingleLine: true
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#AlwaysBreakAfterDefinitionReturnType: None
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#AlwaysBreakAfterReturnType: None
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#AlwaysBreakBeforeMultilineStrings: true
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AlwaysBreakTemplateDeclarations: No # Yes
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#AttributeMacros:
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# - __capability
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#BinPackArguments: true
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#BinPackParameters: true
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#BraceWrapping:
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# AfterCaseLabel: false
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# AfterClass: false
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# AfterControlStatement: Never
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# AfterEnum: false
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# AfterFunction: false
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# AfterNamespace: false
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# AfterObjCDeclaration: false
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# AfterStruct: false
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# AfterUnion: false
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# AfterExternBlock: false
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# BeforeCatch: false
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# BeforeElse: false
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# BeforeLambdaBody: false
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# BeforeWhile: false
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# IndentBraces: false
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# SplitEmptyFunction: true
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# SplitEmptyRecord: true
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# SplitEmptyNamespace: true
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#BreakBeforeBinaryOperators: None
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#BreakBeforeConceptDeclarations: true
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#BreakBeforeBraces: Attach
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#BreakBeforeInheritanceComma: false
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AlignConsecutiveAssignments:
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Enabled: true
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AcrossEmptyLines: false
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AcrossComments: false
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AlignConsecutiveDeclarations:
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Enabled: true
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AcrossEmptyLines: false
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AcrossComments: false
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AlignOperands: AlignAfterOperator
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AllowAllArgumentsOnNextLine: false
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AllowShortLambdasOnASingleLine: Inline
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AllowShortCaseLabelsOnASingleLine: true
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AlwaysBreakTemplateDeclarations: No
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BreakInheritanceList: BeforeComma
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#BreakBeforeTernaryOperators: true
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#BreakConstructorInitializersBeforeComma: false
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#BreakConstructorInitializers: BeforeColon
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#BreakAfterJavaFieldAnnotations: false
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#BreakStringLiterals: true
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ColumnLimit: 0
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#CommentPragmas: '^ IWYU pragma:'
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QualifierAlignment: Right # Leave
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#CompactNamespaces: false
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BraceWrapping:
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BeforeLambdaBody: false
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ColumnLimit: 0
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QualifierAlignment: Right
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ConstructorInitializerIndentWidth: 0
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ContinuationIndentWidth: 99
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#Cpp11BracedListStyle: true
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#DeriveLineEnding: true
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#DerivePointerAlignment: true
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#DisableFormat: false
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#EmptyLineAfterAccessModifier: Never
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#EmptyLineBeforeAccessModifier: LogicalBlock
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#ExperimentalAutoDetectBinPacking: false
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#PackConstructorInitializers: NextLine
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#BasedOnStyle: ''
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#ConstructorInitializerAllOnOneLineOrOnePerLine: false
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#AllowAllConstructorInitializersOnNextLine: true
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ContinuationIndentWidth: 4
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Cpp11BracedListStyle: true
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FixNamespaceComments: true
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#ForEachMacros:
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# - foreach
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# - Q_FOREACH
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# - BOOST_FOREACH
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#IfMacros:
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# - KJ_IF_MAYBE
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#IncludeBlocks: Regroup
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#IncludeCategories:
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# - Regex: '^<ext/.*\.h>'
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# Priority: 2
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# SortPriority: 0
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# CaseSensitive: false
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# - Regex: '^<.*\.h>'
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# Priority: 1
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# SortPriority: 0
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# CaseSensitive: false
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# - Regex: '^<.*'
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# Priority: 2
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# SortPriority: 0
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# CaseSensitive: false
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# - Regex: '.*'
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# Priority: 3
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# SortPriority: 0
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# CaseSensitive: false
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#IncludeIsMainRegex: '([-_](test|unittest))?$'
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#IncludeIsMainSourceRegex: ''
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#IndentAccessModifiers: true # false
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AccessModifierOffset: -98 # 2
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#IndentCaseLabels: true
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#IndentCaseBlocks: false
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#IndentGotoLabels: true
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#IndentPPDirectives: None
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#IndentExternBlock: AfterExternBlock
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#IndentRequires: false
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IndentWidth: 99
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#IndentWrappedFunctionNames: false
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#InsertTrailingCommas: None
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#JavaScriptQuotes: Leave
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#JavaScriptWrapImports: true
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#KeepEmptyLinesAtTheStartOfBlocks: false
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#LambdaBodyIndentation: Signature
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#MacroBlockBegin: ''
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#MacroBlockEnd: ''
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#MaxEmptyLinesToKeep: 1
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#NamespaceIndentation: None
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#ObjCBinPackProtocolList: Never
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#ObjCBlockIndentWidth: 2
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#ObjCBreakBeforeNestedBlockParam: true
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#ObjCSpaceAfterProperty: false
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#ObjCSpaceBeforeProtocolList: true
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#PenaltyBreakAssignment: 2
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#PenaltyBreakBeforeFirstCallParameter: 1
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#PenaltyBreakComment: 300
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#PenaltyBreakFirstLessLess: 120
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#PenaltyBreakOpenParenthesis: 0
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#PenaltyBreakString: 1000
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IncludeBlocks: Regroup
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IncludeCategories:
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- Regex: <boost/test/unit_test\.hpp>
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Priority: 1
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- Regex: <(boost\/multi)\/
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Priority: 2
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- Regex: <([A-Za-z0-9\Q/-_\E])+>
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Priority: 6
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- Regex: <(catch2|boost)\/
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Priority: 5
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- Regex: <([A-Za-z0-9.\Q/-_\E])+>
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Priority: 4
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- Regex: '"([A-Za-z0-9.\Q/-_\E])+"'
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Priority: 3
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IndentPPDirectives: BeforeHash
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IndentWidth: 4
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# LambdaBodyIndentation: Signature
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PenaltyBreakTemplateDeclaration: 10
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#PenaltyExcessCharacter: 1000000
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#PenaltyReturnTypeOnItsOwnLine: 200
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#PenaltyIndentedWhitespace: 0
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PointerAlignment: Left
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#PPIndentWidth: -1
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#RawStringFormats:
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# - Language: Cpp
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# Delimiters:
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# - cc
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# - CC
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# - cpp
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# - Cpp
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# - CPP
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# - 'c++'
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# - 'C++'
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# CanonicalDelimiter: ''
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# BasedOnStyle: google
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# - Language: TextProto
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# Delimiters:
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# - pb
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# - PB
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# - proto
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# - PROTO
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# EnclosingFunctions:
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# - EqualsProto
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# - EquivToProto
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# - PARSE_PARTIAL_TEXT_PROTO
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# - PARSE_TEST_PROTO
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# - PARSE_TEXT_PROTO
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# - ParseTextOrDie
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# - ParseTextProtoOrDie
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# - ParseTestProto
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# - ParsePartialTestProto
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# CanonicalDelimiter: pb
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# BasedOnStyle: google
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#ReferenceAlignment: Pointer
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#ReflowComments: true
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#RemoveBracesLLVM: false
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#SeparateDefinitionBlocks: Leave
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#ShortNamespaceLines: 1
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#SortIncludes: CaseSensitive
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#SortJavaStaticImport: Before
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#SortUsingDeclarations: true
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#SpaceAfterCStyleCast: false
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#SpaceAfterLogicalNot: false
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SpaceAfterTemplateKeyword: false # true
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#SpaceBeforeAssignmentOperators: true
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#SpaceBeforeCaseColon: false
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#SpaceBeforeCpp11BracedList: false
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#SpaceBeforeCtorInitializerColon: true
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#SpaceBeforeInheritanceColon: true
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SpaceBeforeParens: Custom # ControlStatements
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SpaceAfterTemplateKeyword: false
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SpaceBeforeAssignmentOperators: true
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SpaceBeforeParens: Custom
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SpaceBeforeParensOptions:
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AfterControlStatements: false # true
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# AfterForeachMacros: true
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# AfterFunctionDefinitionName: false
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# AfterFunctionDeclarationName: false
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# AfterIfMacros: true
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# AfterOverloadedOperator: false
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# BeforeNonEmptyParentheses: false
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#SpaceAroundPointerQualifiers: Default
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#SpaceBeforeRangeBasedForLoopColon: true
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#SpaceInEmptyBlock: false
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#SpaceInEmptyParentheses: false
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AfterControlStatements: false
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SpacesBeforeTrailingComments: 2
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#SpacesInAngles: Never
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#SpacesInConditionalStatement: false
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#SpacesInContainerLiterals: true
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#SpacesInCStyleCastParentheses: false
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SpacesInLineCommentPrefix:
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Minimum: 1
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# Maximum: -1
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#SpacesInParentheses: false
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#SpacesInSquareBrackets: false
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#SpaceBeforeSquareBrackets: false
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#BitFieldColonSpacing: Both
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Standard: c++17
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#StatementAttributeLikeMacros:
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# - Q_EMIT
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#StatementMacros:
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# - Q_UNUSED
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# - QT_REQUIRE_VERSION
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TabWidth: 99
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#UseCRLF: false
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UseTab: ForContinuationAndIndentation # Never
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Minimum: 1
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Standard: c++17
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TabWidth: 4
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UseTab: ForContinuationAndIndentation
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WhitespaceSensitiveMacros:
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- BOOST_REQUIRE
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- BOOST_TEST
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- BOOST_TEST_REQUIRE
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#WhitespaceSensitiveMacros:
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# - STRINGIZE
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# - PP_STRINGIZE
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# - BOOST_PP_STRINGIZE
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# - NS_SWIFT_NAME
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# - CF_SWIFT_NAME
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...
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- BOOST_AUTO_TEST_CASE

‎external_codes/boost_multi/multi/.clang-tidy

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# -*-indent-tabs-mode:nil;c-basic-offset:2;tab-width:2;autowrap:nil;-*-
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# Copyright 2020-2024 Alfredo A. Correa
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WarningsAsErrors: '*'
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HeaderFilterRegex: '.'
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- { key: readability-identifier-length.MinimumLoopCounterNameLength , value: 2 }
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- { key: readability-identifier-length.MinimumParameterNameLength , value: 2 }
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- { key: readability-identifier-length.MinimumVariableNameLength , value: 2 }
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- { key: readability-identifier-naming.MacroDefinitionCase , value: UPPER_CASE }
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- { key: readability-identifier-naming.MacroDefinitionPrefix, , value: BOOST_MULTI_ }
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- { key: readability-identifier-naming.MacroDefinitionSuffix, , value: * }
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- { key: readability-identifier-naming.NamespaceCase , value: lower_case }
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- { key: readability-identifier-naming.PrivateMemberPrefix , value: '' }
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- { key: readability-identifier-naming.PrivateMemberSuffix , value: _ }
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Checks: '*,
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-altera-struct-pack-align,
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-clang-diagnostic-deprecated-declarations,
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-cppcoreguidelines-avoid-magic-numbers,
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-cppcoreguidelines-macro-usage,
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-fuchsia-overloaded-operator,
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-fuchsia-trailing-return,
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-llvmlibc-*,
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-misc-include-cleaner,
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-modernize-use-nodiscard,
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-readability-magic-numbers
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'
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-readability-magic-numbers'
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## explanation of the suppressed rules above:
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# -altera-struct-pack-align, // this asks to use non-standard pragmas such as __attribute__((aligned(0))) and _attribute__((packed)), may interfeere with gcc/nvcc compatibility?
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# -clang-diagnostic-deprecated-declarations // some test run deprecated functions on purposes
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# -clang-diagnostic-deprecated-declarations // some test run deprecated functions on purpose
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# -cppcoreguidelines-avoid-magic-numbers, // all tests use magic numbers
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# -cppcoreguidelines-macro-usage, // BLAS adaptors uses a lot of macros
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# -fuchsia-overloaded-operator, // this library overloads operators (==, <, +, &)
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# -fuchsia-trailing-return, // to allow any '-> decltype(auto)', contradicts modernize trailing
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# -llvmlibc-*, // nonsense warnings, for llvm developers
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# -misc-include-cleaner, // using Boost.Test
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# -llvm-header-guard, // allow PCH
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# -misc-include-cleaner // allow PCH
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# -modernize-use-nodiscard, // this would add [[nodiscard]] to almost all functions, adding a lot of noise
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# -readability-magic-numbers, // all tests use magic numbers
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# -readability-magic-numbers, // many tests use magic numbers
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‎external_codes/boost_multi/multi/.github/pull_request_template.md

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[gl pipelines](https://gitlab.com/correaa/boost-multi/-/pipelines?page=1&scope=all)
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[gl merge request](https://gitlab.com/correaa/boost-multi/-/merge_requests/new)
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[![gitlabci](https://gitlab.com/correaa/boost-multi/badges/master/pipeline.svg)](https://gitlab.com/correaa/boost-multi/-/pipelines?page=1&scope=all)

‎external_codes/boost_multi/multi/.github/workflows/ci.yml

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GIT_FETCH_JOBS: 8
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ACTIONS_ALLOW_USE_UNSECURE_NODE_VERSION: true
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