Variational-Monte-Carlo

Prerequisites

• CMake 3.20+
• A C++23 compiler
  • Windows: Visual Studio 2022 with "Desktop development with C++"
  • Linux: GCC 13+ or Clang 16+
  • macOS: AppleClang that supports C++23 features you use, or Homebrew LLVM
• Git
• clang-format
• clang-tidy

Build

The easiest way to build is to execute:
./scripts/build.sh or ./scripts/build.ps1

Script parameters:

• ./scripts/build.sh [BUILD_TYPE] (default: Release)
• ./scripts/build.ps1 [-BuildType <BUILD_TYPE>] (default: Release)

Alternatively, a manual build involves:
cmake -S . -B build -DBUILD_TESTING=OFF
cmake --build build --target vmc

Profiling Mode

Use a profiler-friendly build (optimized with debug symbols) for external profilers.

Build: ./scripts/profile.sh or ./scripts/profile.ps1

Script parameters:

• ./scripts/profile.sh [BUILD_DIR] (default: build-prof)
• ./scripts/profile.ps1 [-BuildDir <BUILD_DIR>] (default: build-prof)

Alternatively, manually: cmake -S . -B build-prof -DBUILD_TESTING=OFF -DCMAKE_BUILD_TYPE=RelWithDebInfo cmake --build build-prof --target vmc

Run under your profiler using ./build-prof/vmc.

Run Tests

The easiest way to run tests is to execute:
./scripts/test.sh or ./scripts/test.ps1

Script parameters:

• ./scripts/test.sh [BUILD_TYPE] (default: Debug)
• ./scripts/test.ps1 [-BuildType <BUILD_TYPE>] (default: Debug)

Alternatively, manually testing involves:
cmake -S . -B build-tests -DBUILD_TESTING=ON -DCMAKE_EXPORT_COMPILE_COMMANDS=ON
cmake --build build-tests --target vmc_tests
ctest --test-dir build-tests

LSP / clangd

This repo includes a .clangd file that points clangd to the build-tests compilation database so test files can resolve Catch2 headers.

Generate it once with: cmake -S . -B build-tests -DBUILD_TESTING=ON -DCMAKE_EXPORT_COMPILE_COMMANDS=ON