============================================ Tracker issue status (lode-org/readcon-core) ============================================ Maps historical GitHub issues to commits / surfaces. Prefer ``Closes #N`` on merge PRs. .. table:: +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | Issue | Title | Status | Representative commits / evidence | +=======+==============================+========+======================================================================================================+ | #4 | DOC: User facing details | Done | Sphinx site; ``401fbbe`` a11y; ``ad70e47`` benches; branch ``issues/close-open-trackers`` | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #5 | ENH: Python bindings | Done | ``python`` feature / maturin; releases 0.13.x wheels | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #6 | ENH: Fortran bindings | Done | ``fortran/ReadCon`` fpm; full DLPack + metatensor blocks (fat lib); ``scripts/run_fortran_tests.sh`` | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #7 | DOC: cmake integration | Done | Root ``CMakeLists.txt`` Corrosion; bindings CMake subsection | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #8 | REL: Explain release process | Done | ``docs/orgmode/contributing.org`` cog / cargo-dist / PyPI OIDC | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #10 | ENH: Support convel | Done | iterators/writers + ``resources/test/*.convel`` | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #11 | TST: Coverage and metrics | Done | ``.github/workflows/coverage.yml`` | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #12 | EXT: chemfiles | Done | ``--features chemfiles``; ``ad70e47`` Cachegrind conversion scenarios | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ | #19 | 3-component ``fixed_flag`` | Done | Rust ``[bool;3]``; C ``fixed_x/y/z``; Fortran ``catom_t`` | +-------+------------------------------+--------+------------------------------------------------------------------------------------------------------+ **Vault vissues (Software/readcon-core/issues.org) — ``feat/ffi-matrix-hardening``** .. table:: +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | Id | Topic | Status | Evidence | +==================================+===============================================================+===========================+============================================================================================================================================+ | ``readcon-core-795z`` | C path iterator compression + string/buffer iterators | Done | ``read_con_file_iterator`` via ``compression::read_file_contents``; ``read_con_string_iterator`` / ``read_con_buffer_iterator``; FFI tests | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-8cx2`` | C++ section API smoke | Done | ``examples/cpp_api_sample.cpp`` ``smoke_section_buffers`` | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-6vie`` | Fortran velocities/forces/masses copies | Done | ``fortran/ReadCon/test/test_read_con.f90`` | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-lrk1`` | ``src/ffi.rs`` double-newline bloat | Done | normalized single-spaced file | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-u08i`` | Python maturin / mold CI | Done | ``python_wheels.yml`` sets ``RUSTFLAGS``-C link-arg=-fuse-ld=bfd= (no mold) | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-y69o`` | Julia runtime tests | Done | ``ci_julia.yml`` when Julia present; docs skip contract in ``julia/ReadCon/README.md`` | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-anp5`` | Bindings docs frame buffers / ptr\_array free | Done | ``docs/orgmode/bindings.org`` section buffers + iterators | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-47kp`` | Feature matrix CI | Done | ``.github/workflows/ci_feature_matrix.yml`` + ``scripts/check_feature_matrix.sh`` | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-oc8g`` / ``zs6n`` | Parent plan / merge branch | Done (merge-ready) | Branch complete; gitguard blocks PR create — integrate when allowed | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-conda-32605`` | conda-forge staged-recipes | STARTED | External maintainer gate (@conda-forge/help-rust) | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-aoqu`` | Publish PyPI wheel for rgpot | TODO | External gate: PyPI credentials / publish workflow | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-r2wh`` | SoA ArcArray primary numeric store | Done | ``de4b276`` + ``FloatArray`` SoA; ``project_storage_dtypes``; DLPack-shaped | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-bb34`` | dlpk host element kinds + optional CUDA | Done (CPU + opt ``cuda``) | ``fe5ea6c`` hosted kinds; ``406160e=/=30611f9`` real allocate + H2D frame/FFI; default still rejects non-CPU | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-0tlm`` | Morton spatial sort | CANCELLED | Revert ``2ee6daa`` rationale stands; not re-landed on SoA in this pass | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-uu0a`` | Frame velocities/forces/energies DLPack | Done | ``rkr_frame_*_dlpack`` + FFI test + C++ wrappers | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-c6ox`` | C optional APIs always declared | Done | ``include/readcon-core.h`` metatensor/zstd decls unconditional; lean =-11=/NULL | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-box4`` | Cachegrind main-only commit | Done | ``ci_cachegrind.yml`` commit step ``if: github.ref =`` main=; PRs artifacts only | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-eqht`` | Perf only via Cachegrind + equal-geometry (no vanity metrics) | TODO | Hot-path work needs harness deltas | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-a6od`` | Refresh compare\_readers historical tables on remote builder | TODO | ``benchmarks.org`` tables labeled illustrative until re-run | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-bg2u`` | Chemfiles ingress vs native CON equal-geometry wall profile | TODO | Cachegrind ``chemfiles_*`` exists; wall peer table incomplete | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-nov2`` | Keep Sphinx RST export in sync after org positioning rewrites | Done | ``emacs docs/export.el`` + fix\_doc\_links | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-3owo`` | Wire ``tests/python`` pytest into CI | Done | ``.github/workflows/ci_python.yml`` (lean + chemfiles maturin/pytest) | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ | ``readcon-core-bctw`` | Fortran lazy frame iterator over C ABI | Done | ``iterator_t`` / ``open_iterator``; fpm test walks ``tiny_multi_cuh2.con``; bindings matrix | +----------------------------------+---------------------------------------------------------------+---------------------------+--------------------------------------------------------------------------------------------------------------------------------------------+ External packaging gates (leave open): ``readcon-core-conda-32605``, ``readcon-core-3xku``, ``readcon-core-aoqu``. Fortran details: ``fortran/README.md``. Multi-language panels: bindings page.