Publish slides

.github/workflows/pages.yml

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+# Simple workflow for deploying static content to GitHub Pages
+name: Deploy static content to Pages
+
+on:
+  # Runs on pushes targeting the default branch
+  push:
+    branches: [main]
+
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+# Allow only one concurrent deployment, skipping runs queued between the run in-progress and latest queued.
+# However, do NOT cancel in-progress runs as we want to allow these production deployments to complete.
+concurrency:
+  group: "pages"
+  cancel-in-progress: false
+
+jobs:
+  # Build job
+  build:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+      - name: NPM install
+        run: npm install
+      - name: Prepare staging directory
+        shell: bash
+        run: |
+          mkdir staging
+          rsync -a media style.css index.html staging
+          rsync -Ra node_modules/reveal.js/dist/{reset,reveal,theme/serif}.css staging
+          rsync -Ra node_modules/reveal.js/plugin/highlight/monokai.css staging
+          rsync -Ra node_modules/reveal.js/dist/reveal.js staging
+          rsync -Ra node_modules/reveal.js/plugin/{zoom/zoom,notes/notes,search/search,markdown/markdown,highlight/highlight}.js staging
+      - name: Upload pages artifact
+        uses: actions/upload-pages-artifact@v2
+        with:
+            path: staging
+
+  # Deploy job
+  deploy:
+    # Add a dependency to the build job
+    needs: build
+
+    # Grant GITHUB_TOKEN the permissions required to make a Pages deployment
+    permissions:
+      pages: write    # to deploy to Pages
+      id-token: write # to verify the deployment originates from an appropriate source
+
+    # Deploy to the github-pages environment
+    environment:
+      name: github-pages
+      url: ${{ steps.deployment.outputs.page_url }}
+
+    # Specify runner + deployment step
+    runs-on: ubuntu-latest
+    steps:
+      - name: Deploy to GitHub Pages
+        id: deployment
+        uses: actions/deploy-pages@v2

.gitignore

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+node_modules
+.*cache
+build

README.md

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+# Mastering C++ for scientific computing: tools, tips, and tricks
+
+[**Link to slides**](https://tttapa.github.io/Mastering-Cpp-Scientific-Computing)
+
+Thanks to its impressive performance and its unrivaled abstraction power, C++
+remains one of the most widely used languages in scientific computing: It lies
+at the core of machine learning frameworks like TensorFlow and PyTorch, is the
+foundation of vendor-specific tools for programming accelerators like SYCL,
+NVIDIA's CUDA or AMD's HIP, and is the go-to language for scientific and
+engineering projects spanning the full spectrum from tiny embedded control
+applications, all the way up to analyzing the petabytes of data generated by
+physics experiments at CERN.
+
+This seminar will cover tools and guidelines to help you to efficiently develop
+safer, more performant, and more maintainable C++ code. We will go over the
+following topics: development tools, runtime sanitizers and static analysis,
+C++ Core Guidelines, the pitfalls of undefined behavior, build systems and
+packaging, portability and compatibility, interfacing with Python, performance,
+linear algebra ... The main goal is to cover a broad range of topics, and
+provide pointers to further resources to dive into.
+
+While aimed primarily towards PhD researchers and students who use C++ in their
+research or master's thesis, the talk should provide valuable insights for
+anyone with an interest in C++.

code/poly/.clang-format

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+---
+Language:        Cpp
+AccessModifierOffset: -2
+AlignAfterOpenBracket: Align
+AlignConsecutiveMacros: false
+AlignConsecutiveAssignments: true
+AlignConsecutiveDeclarations: false
+AlignEscapedNewlines: Right
+AlignOperands: true
+AlignTrailingComments: true
+AllowAllArgumentsOnNextLine: true
+AllowAllConstructorInitializersOnNextLine: true
+AllowAllParametersOfDeclarationOnNextLine: true
+AllowShortBlocksOnASingleLine: Never
+AllowShortCaseLabelsOnASingleLine: true
+AllowShortFunctionsOnASingleLine: All
+AllowShortLambdasOnASingleLine: All
+AllowShortIfStatementsOnASingleLine: Never
+AllowShortLoopsOnASingleLine: false
+AlwaysBreakAfterDefinitionReturnType: None
+AlwaysBreakAfterReturnType: None
+AlwaysBreakBeforeMultilineStrings: false
+AlwaysBreakTemplateDeclarations: true
+BinPackArguments: true
+BinPackParameters: true
+BraceWrapping:
+  AfterCaseLabel:  false
+  AfterClass:      false
+  AfterControlStatement: false
+  AfterEnum:       false
+  AfterFunction:   false
+  AfterNamespace:  false
+  AfterObjCDeclaration: false
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+  AfterUnion:      false
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+  BeforeElse:      false
+  IndentBraces:    false
+  SplitEmptyFunction: true
+  SplitEmptyRecord: true
+  SplitEmptyNamespace: true
+BreakBeforeBinaryOperators: None
+BreakBeforeBraces: Attach
+BreakBeforeInheritanceComma: false
+BreakInheritanceList: BeforeColon
+BreakBeforeTernaryOperators: true
+BreakConstructorInitializersBeforeComma: false
+BreakConstructorInitializers: BeforeColon
+BreakAfterJavaFieldAnnotations: false
+BreakStringLiterals: true
+ColumnLimit:     80
+CommentPragmas:  '^ IWYU pragma:'
+CompactNamespaces: false
+ConstructorInitializerAllOnOneLineOrOnePerLine: false
+ConstructorInitializerIndentWidth: 4
+ContinuationIndentWidth: 4
+Cpp11BracedListStyle: true
+DeriveLineEnding: true
+DerivePointerAlignment: false
+DisableFormat:   false
+ExperimentalAutoDetectBinPacking: false
+FixNamespaceComments: true
+ForEachMacros:
+  - foreach
+  - Q_FOREACH
+  - BOOST_FOREACH
+IncludeBlocks:   Preserve
+IncludeCategories:
+  - Regex:           '^<poly/.*'
+    Priority:        10
+  - Regex:           '^".*'
+    Priority:        20
+  - Regex:           '^".+/.*'
+    Priority:        30
+  - Regex:           '^<.+/.*'
+    Priority:        40
+  - Regex:           '^<.*\.h>'
+    Priority:        50
+  - Regex:           '^<.*'
+    Priority:        60
+IncludeIsMainRegex: '(Test)?$'
+IncludeIsMainSourceRegex: ''
+IndentCaseLabels: true
+IndentGotoLabels: true
+IndentPPDirectives: None
+IndentWidth:     4
+IndentWrappedFunctionNames: false
+JavaScriptQuotes: Leave
+JavaScriptWrapImports: true
+KeepEmptyLinesAtTheStartOfBlocks: true
+MacroBlockBegin: ''
+MacroBlockEnd:   ''
+MaxEmptyLinesToKeep: 1
+NamespaceIndentation: None
+ObjCBinPackProtocolList: Auto
+ObjCBlockIndentWidth: 2
+ObjCSpaceAfterProperty: false
+ObjCSpaceBeforeProtocolList: true
+PenaltyBreakAssignment: 2
+PenaltyBreakBeforeFirstCallParameter: 19
+PenaltyBreakComment: 300
+PenaltyBreakFirstLessLess: 120
+PenaltyBreakString: 1000
+PenaltyBreakTemplateDeclaration: 10
+PenaltyExcessCharacter: 1000000
+PenaltyReturnTypeOnItsOwnLine: 60
+PointerAlignment: Right
+QualifierAlignment: Custom
+QualifierOrder: [inline, static, constexpr, const, volatile, type]
+ReflowComments:  false
+SortIncludes:    true
+SortUsingDeclarations: true
+SpaceAfterCStyleCast: false
+SpaceAfterLogicalNot: false
+SpaceAfterTemplateKeyword: true
+SpaceBeforeAssignmentOperators: true
+SpaceBeforeCpp11BracedList: false
+SpaceBeforeCtorInitializerColon: true
+SpaceBeforeInheritanceColon: true
+SpaceBeforeParens: ControlStatements
+SpaceBeforeRangeBasedForLoopColon: true
+SpaceInEmptyBlock: false
+SpaceInEmptyParentheses: false
+SpacesBeforeTrailingComments: 1
+SpacesInAngles:  false
+SpacesInConditionalStatement: false
+SpacesInContainerLiterals: true
+SpacesInCStyleCastParentheses: false
+SpacesInParentheses: false
+SpacesInSquareBrackets: false
+SpaceBeforeSquareBrackets: false
+Standard:        c++20
+StatementMacros:
+  - Q_UNUSED
+  - QT_REQUIRE_VERSION
+TabWidth:        4
+UseCRLF:         false
+UseTab:          Never
+...

code/poly/.clang-tidy

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+---
+WarningsAsErrors: ''
+HeaderFilterRegex: '(include/poly)'
+FormatStyle: file
+
+Checks: |
+    *,
+    -abseil*,-altera*,-android*,-fuchsia*,-google*,-llvm*,-zircon*,
+    -modernize-use-trailing-return-type,
+    -*-magic-numbers,
+    google-build-using-namespace,
+
+CheckOptions:
+    - key: readability-implicit-bool-conversion.AllowPointerConditions
+      value: true

code/poly/CMakeLists.txt

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+cmake_minimum_required(VERSION 3.21)
+project(poly VERSION 1.2.3 LANGUAGES CXX)
+# Import CMake testing support
+include(CTest)
+
+# Define user options
+option(POLY_INIT_NAN
+    "Initialize all matrices and vectors to NaN for debugging purposes" Off)
+
+# Include the build script in the src directory
+add_subdirectory("src")
+# Include the build script in the test (if enabled)
+if (BUILD_TESTING)
+    add_subdirectory("test")
+endif()

code/poly/conanfile.txt

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+[requires]
+eigen/3.4.0
+[test_requires]
+gtest/1.12.1
+[generators]
+CMakeDeps
+CMakeToolchain
+[layout]
+cmake_layout

code/poly/src/CMakeLists.txt

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+# Find dependencies we rely on
+find_package(Eigen3 REQUIRED)
+# Define the "poly" library and specify the source files it consists of
+add_library(poly
+    "include/poly/poly.hpp"
+    "include/poly/interpolate.hpp"
+    "src/interpolate.cpp"
+)
+# The library requires the 2020 revision of the C++ standard
+target_compile_features(poly PUBLIC cxx_std_20)
+# Specify the path of the header files
+target_include_directories(poly PUBLIC "include")
+# Link the Eigen library into our poly library
+target_link_libraries(poly PUBLIC Eigen3::Eigen)
+# Add custom compiler options or macros
+if (POLY_INIT_NAN)
+    target_compile_definitions(poly PUBLIC EIGEN_INITIALIZE_MATRICES_BY_NAN)
+endif()

code/poly/src/include/poly/interpolate.hpp

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+#pragma once
+
+#include <poly/poly.hpp>
+
+namespace poly {
+
+/// Given the vectors @f$ x @f$ and @f$ y @f$, interpolate a Chebyshev
+/// polynomial @f$ p @f$ such that @f$ p(x_i) = y_i @f$.
+/// @param  x   Samples of the independent variable.
+/// @param  y   Samples of the dependent variable corresponding to @p x.
+/// @pre    @p x and @p y should have the same length.
+/// @return The coefficients of polynomial @f$ p @f$ in Chebyshev basis.
+ChebyshevPolynomial interpolate_cheby(vector_ref_t x, vector_ref_t y);
+
+} // namespace poly

code/poly/src/include/poly/poly.hpp

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+#pragma once
+
+#include <Eigen/Dense>
+#include <algorithm>
+#include <initializer_list>
+#include <utility>
+
+namespace poly {
+
+// Handy type aliases to make the rest of the code more readable.
+using matrix_t         = Eigen::MatrixX<double>;
+using vector_t         = Eigen::VectorX<double>;
+using vector_ref_t     = Eigen::Ref<const vector_t>;
+using vector_mut_ref_t = Eigen::Ref<vector_t>;
+using index_t          = Eigen::Index;
+
+/// Representation of a polynomial in Chebyshev basis.
+struct ChebyshevPolynomial {
+    /// Type of the polynomial coefficients.
+    using coeff_t = vector_t;
+
+    /// Create an empty polynomial.
+    ChebyshevPolynomial() = default;
+    /// Create a polynomial with the given coefficients.
+    explicit ChebyshevPolynomial(coeff_t init_coeff)
+        : coefficients{std::move(init_coeff)} {}
+    /// Create a polynomial with all zero coefficients of the given degree.
+    explicit ChebyshevPolynomial(index_t degree)
+        : coefficients{coeff_t::Zero(degree + 1)} {}
+    /// Create a polynomial with the given coefficients.
+    ChebyshevPolynomial(std::initializer_list<double> init_coeff)
+        : coefficients{init_coeff.size()} {
+        std::ranges::copy(init_coeff, std::begin(this->coefficients));
+    }
+    /// Vector storing the polynomial coefficients in Chebyshev basis.
+    coeff_t coefficients;
+};
+
+} // namespace poly

code/poly/src/src/interpolate.cpp

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+#include <poly/interpolate.hpp>
+#include <Eigen/LU>
+#include <cassert>
+
+namespace poly {
+
+namespace {
+auto make_chebyshev_basis_matrix(vector_ref_t x, index_t degree) {
+    assert(degree >= 0);
+    const index_t N = x.size();
+    matrix_t V(N, degree + 1);
+    V.col(0) = vector_t::Ones(N);
+    if (degree >= 1) {
+        V.col(1) = x;
+        for (index_t i = 0; i < degree - 1; ++i)
+            V.col(i + 2) = 2 * V.col(i + 1).cwiseProduct(x) - V.col(i);
+    }
+    return V;
+}
+} // namespace
+
+ChebyshevPolynomial interpolate_cheby(vector_ref_t x, vector_ref_t y) {
+    assert(x.size() == y.size());
+    assert(x.size() > 0);
+    // Construct Vandermonde/basis matrix
+    auto V = make_chebyshev_basis_matrix(x, x.size() - 1);
+    // Scale the system
+    const vector_t scaling = V.colwise().norm().cwiseInverse();
+    V *= scaling.asDiagonal();
+    // Solve the system, undo scaling
+    ChebyshevPolynomial solution{V.fullPivLu().solve(y)};
+    solution.coefficients.transpose() *= scaling.asDiagonal();
+    return solution;
+}
+
+} // namespace poly