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Benchmark ResultsWarning 1 benchmark(s) regressed
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7 unchanged benchmark(s)
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Replace hand-written FILE*-based .con/.convel parsers and writers in Matter.cpp with the readcon-core Rust FFI library (mmap-based reader, ConFrameBuilder/ConFrameWriter for output). - con2matter: readcon::read_first_frame() + populate from ConFrame - matter2con: ConFrameBuilder + ConFrameWriter with 17-digit precision - matter2convel: ConFrameBuilder::add_atom_with_velocity() - convel2matter: read_first_frame() + velocity extraction - cell_to_lengths_angles(): new helper using safe_acos/safe_div Remove all FILE* overloads from Matter and all call sites: - NudgedElasticBandJob, GPSurrogateJob: multi-image writes use matter2con(filename, append=true) loop - ProcessSearchJob, SaddleSearchJob, SafeHyperJob, TADJob, BasinHoppingJob, DynamicsJob: fopen/fclose replaced with string-based matter2con(filename) - NudgedElasticBand: iteration path writes converted - HelperFunctions::saveMode: FILE* -> std::ofstream + std::format - MinModeSaddleSearch: checkpoint mode write updated Build: add readcon-core as Meson subproject (static, Rust FFI via cbindgen), bump meson_version to >= 1.8.0.
readcon-core is a Rust FFI library that requires rustc >= 1.88 and cbindgen to generate C++ headers during the Meson build.
Python: - eon/fileio.py: replace hand-written con parser with readcon package - pyproject.toml: add readcon>=0.4.3 dependency - pixi.toml: add readcon PyPI dep CI: - All build workflows: bump setup-pixi v0.8.10 -> v0.9.4 - All build workflows: add cbindgen install step for readcon-core - ci_docs.yml: bump pixi action Docs: - New design doc: docs/source/devdocs/design/client/confile.md - Towncrier fragments for readcon client, fileio, and C++ changes
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Because why not.