Optimize header includes and reduce dependencies #473
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- Replace <Eigen/Dense> with lighter <Eigen/Core> in energy.h - Add <Eigen/Eigenvalues> to analysis.cpp where SelfAdjointEigenSolver is used This reduces compilation time for the heaviest header file (energy.h, ~2000 lines) by avoiding unnecessary Eigen decomposition modules. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
- Replace <spdlog/fmt/fmt.h> with <format> for GenericError template - Replace <range/v3/range/concepts.hpp> with <iterator> for iter_value_t - Use std::format instead of fmt::vformat in GenericError - Use std::iter_value_t instead of ranges::cpp20::iter_value_t This removes two third-party library includes from the most widely included header file, potentially improving compilation times. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Migrate from spdlog's bundled fmt library to C++20 std::format: - Update all fmt::format calls to std::format - Replace <spdlog/fmt/fmt.h> and <spdlog/fmt/ostr.h> with <format> - Add <format> include to headers that use std::format This reduces dependency on third-party formatting and uses the C++20 standard library instead. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Replace <spdlog/fmt/fmt.h> with <format> in precompiled headers to match the migration from fmt::format to std::format. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
- Move BoundaryFunction and DistanceFunction to core.h - Remove geometry.h include from group.h (use units.h for pc::) - Add geometry.h to group.cpp and externalpotential.h where needed - Remove duplicate typedef from bonds.h Files like io.h, regions.h and their dependents no longer transitively include the 952-line geometry.h. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Headers that include core.h no longer need to explicitly include: - <ranges>, <optional>, <vector>, <iterator>, <functional> - <nlohmann/json.hpp> These are already provided by core.h. Also reorder celllistimpl.h to include core.h first. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
- energy.h: remove Eigen/Core, ranges, optional (from space.h->core.h) - io.h: remove iterator, ranges (from group.h->core.h) - move.h: remove optional (from space.h->core.h) - analysis.h: remove vector (from space.h->core.h) Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Remove <optional> and <ranges> which are already provided via regions.h -> space.h -> core.h Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Move specialized utilities out of core.h to improve modularity: - aux/json_support.h: JSON utilities (SingleUseJSON, loadJSON, etc.) - aux/coordinates.h: Coordinate transforms (xyz2rth, xyz2rtp, rtp2xyz) - aux/usagetip.h: TipFromTheManual class - electrolyte.h: Electrolyte class and makeElectrolyte - aux/eigensupport.h: Added asEigenMatrix, asEigenVector functions - random.h: Added randomUnitVector, randomUnitVectorPolar functions - io.h: Added addGrowingSuffix function Core.h now includes these headers for backwards compatibility. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Each source file now explicitly includes the headers it needs (json_support.h, eigensupport.h, coordinates.h, usagetip.h, electrolyte.h) rather than relying on transitive includes through core.h. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
- analysis.h: remove particle.h, molecule.h (provided by space.h) - bonds.h: remove core.h (provided by particle.h) - energy.h: remove aux/iteratorsupport.h (unused in header) - molecule.h: remove core.h (provided by particle.h) - move.h: remove geometry.h, molecule.h (provided by space.h) - montecarlo.cpp: add aux/iteratorsupport.h (was transitive via energy.h) Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Replace full nlohmann/json.hpp with lightweight json_fwd.hpp since only function declarations use the json type (by reference). Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
libstdc++ on Debian bookworm lacks <format> header support. Switch to libc++ which has full C++20 standard library support. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
Ensures external dependencies are built with the same stdlib flags (e.g., -stdlib=libc++) as the main project to avoid ABI mismatches. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
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Summary
fmt::format→std::format)nlohmann/json_fwd.hppforward declaration in tensor.h<format>instead of spdlog/fmtTest plan
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