readcon-db

Mmap-backed CON/convel corpus store (LMDB via Heed), non-SQL selection, xxHash3-128 exact match, and Rust / C / C++ / Python / Fortran bindings.

Part of the readcon ecosystem with readcon-core (Python package readcon):

Crate / package	Role	Docs
readcon-core / `readcon`	CON interchange (parse/write/spec v2–v3). XYZ/PDB/GRO → `ConFrame` via chemfiles (`read_chemfiles*`), not ASE. Optional `to_ase` only for calculators.	Core README, `docs/orgmode/`
readcon-db / `readcon_db` (this repo)	Companion campaign store (not a second CPC paper): mmap, indexes (natoms, symbols, energy range, forces/velocities/energy flags), multi-reader, dedup. Blobs are CON text decoded with readcon-core.	`docs/design.md`, Sphinx `docs/source/`, `docs/source/cpc.md`, `website/`

ASE is not on the critical path for reading CON or XYZ in this stack. ASE .db may appear in a CPC appendix timing table; it is not the recommended store. The CPC manuscript is the readcon-core article. This crate is the companion campaign store, not a second CPC claim. If that paper includes a store-comparison appendix, the numbers are the frozen fair campaign in paper/cpc/freeze/ (same CON ladder; not the legacy Cu2 unequal-workload bench).

Install

cargo add readcon-db
cargo install readcon-db --locked   # CLI
pip install readcon-db             # module readcon_db (PyPI)
# C/C++: FetchContent / meson dependency('readcon-db') / pkg-config
# headers in include/ are shipped; cbindgen is not required
# Prebuilt C ABI (no cargo): readcon-db-clib-$VER-$target.tar.gz on the GitHub Release

Docs: https://lode-org.github.io/readcon-db/ · API: https://docs.rs/readcon-db · crate: https://crates.io/crates/readcon-db

Quick start (from source)

git clone https://github.com/lode-org/readcon-db
cd readcon-db
cargo test --locked
cargo build --release   # libreadcon_db + CLI readcon-db

Optional LODE sibling checkout (edit core + db together): clone both under the same parent, then create untracked .cargo/config.toml in readcon-db:

[patch.crates-io]
readcon-core = { path = "../readcon-core" }

Python extension from a checkout (python/ + maturin):

pip install maturin
maturin develop --release --features python --manifest-path python/pyproject.toml

use readcon_db::{ConCorpus, Select};
let db = ConCorpus::open("/tmp/corpus")?;
db.append_trajectory_path(1, "run.con")?;
// XYZ in: use readcon-core chemfiles → ConFrame → append (see workflows)
let keys = db.select(
    &Select::new()
        .require_symbol("Cu")
        .require_forces()
        .exact_composition("Cu:2|H:2")
        .fmax_range(0.0, 1.0)
        .energy_range(-50.0, 0.0),
)?;
let h = db.frame_hash(keys[0])?;

./target/release/readcon-db ingest-dir /tmp/corpus /path/to/con_files
./target/release/readcon-db select /tmp/corpus --formula 'Cu:2|H:2' --require-forces \
    --fmax-max 1.0 --energy-min -50 --energy-max 0
./target/release/readcon-db reindex /tmp/corpus
./target/release/readcon-db dedup-export /tmp/corpus --symbol Cu -o subset.xyz  # only if a tool demands XYZ on disk

Foreign trajectories: readcon.read_chemfiles("traj.xyz") → frames → ingest into readcon-db (chemfiles-enabled build), not ase.io.read.

Design

No SQL engine — explicit indexes + in-process intersection, with ASE.db-competitive screening fields (mass, volume, PBC, reserved metadata, charge/magmom; see design matrix).
Decode via readcon-core — CON semantics never fork.
Metadata indexes — finite energy bins; flags for forces, velocities, energy presence.
xxHash3-128 on stored blobs — exact dedup / find_by_hash.
Many readers, one writer (LMDB). Same-frame MPI: rank 0 of the caller communicator packs RCSO and MPI_Bcast on that handle (include/readcon-db-mpi.h, Python bcast_packed_frame / bcast_packed_frames). The library never MPI_Inits and never names the process-wide world communicator; LAMMPS / mpi4py pass the comm they already own.
H5MD interchange — export_h5md / collect_h5md writes one [T][N][3] trajectory (CON stays authority). Engine dest is Å / ps / kJ mol^{-1} Angstrom^{-1}; velocity dest is Angstrom ps-1. Callers stamp units on ingest; missing units.time is CON fs.
Node-local drain/join — shard-ingest then drain to a unique dest (data.mdb only, refuse overwrite), then join-drained. compact-join joins one sharded root (open_existing). Campaign ops: docs/source/campaign.md.

Full ABI table, logo, Sphinx docs, and site: see docs/, website/, assets/logo/, CHANGELOG.md. Fortran module notes: fortran/README.md, fortran/ReadConDb/.

License

MIT

Cooked SoA tier

Optional RCSO numerics in frames_soa (opt-in cook). RCSO is non-authoritative: CON text in frames is the sole authority for hash, dedup, join/split, and reindex. User doc: docs/orgmode/cooked-soa.org.

Metadata

Release files for readcon-db 0.1.5

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Source distribution (sdist)

Source distribution for readcon-db 0.1.5
File	Size	Uploaded
readcon_db-0.1.5.tar.gz	236.4 kB	Aug 25, 2026	Details

Built distributions (wheels)

Table of built distributions (wheels) for readcon-db 0.1.5
File	Interpreter	ABI	Platform	Reset
readcon_db-0.1.5-pp311-pypy311_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	PyPy 3.11	PyPy 3.11 7.3	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-pp311-pypy311_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 998.0 kB Aug 25, 2026	PyPy 3.11	PyPy 3.11 7.3	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp315-cp315t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.15	CPython 3.15 free-threading	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp315-cp315t-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 991.1 kB Aug 25, 2026	CPython 3.15	CPython 3.15 free-threading	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp315-cp315-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.15	CPython 3.15	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp315-cp315-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 991.3 kB Aug 25, 2026	CPython 3.15	CPython 3.15	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp314-cp314t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.14	CPython 3.14 free-threading	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp314-cp314t-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 991.1 kB Aug 25, 2026	CPython 3.14	CPython 3.14 free-threading	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp314-cp314-win_amd64.whl 912.3 kB Aug 25, 2026	CPython 3.14	CPython 3.14	Windows x86-64	Details
readcon_db-0.1.5-cp314-cp314-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.14	CPython 3.14	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp314-cp314-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 991.7 kB Aug 25, 2026	CPython 3.14	CPython 3.14	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp314-cp314-macosx_11_0_arm64.whl 896.4 kB Aug 25, 2026	CPython 3.14	CPython 3.14	macOS 11.0+ ARM64	Details
readcon_db-0.1.5-cp314-cp314-macosx_10_12_x86_64.whl 934.6 kB Aug 25, 2026	CPython 3.14	CPython 3.14	macOS 10.12+ x86-64	Details
readcon_db-0.1.5-cp313-cp313-win_amd64.whl 911.7 kB Aug 25, 2026	CPython 3.13	CPython 3.13	Windows x86-64	Details
readcon_db-0.1.5-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.13	CPython 3.13	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp313-cp313-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 992.0 kB Aug 25, 2026	CPython 3.13	CPython 3.13	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp313-cp313-macosx_11_0_arm64.whl 896.6 kB Aug 25, 2026	CPython 3.13	CPython 3.13	macOS 11.0+ ARM64	Details
readcon_db-0.1.5-cp313-cp313-macosx_10_12_x86_64.whl 935.3 kB Aug 25, 2026	CPython 3.13	CPython 3.13	macOS 10.12+ x86-64	Details
readcon_db-0.1.5-cp312-cp312-win_amd64.whl 912.2 kB Aug 25, 2026	CPython 3.12	CPython 3.12	Windows x86-64	Details
readcon_db-0.1.5-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.12	CPython 3.12	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 992.9 kB Aug 25, 2026	CPython 3.12	CPython 3.12	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp312-cp312-macosx_11_0_arm64.whl 897.1 kB Aug 25, 2026	CPython 3.12	CPython 3.12	macOS 11.0+ ARM64	Details
readcon_db-0.1.5-cp312-cp312-macosx_10_12_x86_64.whl 935.8 kB Aug 25, 2026	CPython 3.12	CPython 3.12	macOS 10.12+ x86-64	Details
readcon_db-0.1.5-cp311-cp311-win_amd64.whl 914.1 kB Aug 25, 2026	CPython 3.11	CPython 3.11	Windows x86-64	Details
readcon_db-0.1.5-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.11	CPython 3.11	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 995.2 kB Aug 25, 2026	CPython 3.11	CPython 3.11	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp311-cp311-macosx_11_0_arm64.whl 899.1 kB Aug 25, 2026	CPython 3.11	CPython 3.11	macOS 11.0+ ARM64	Details
readcon_db-0.1.5-cp311-cp311-macosx_10_12_x86_64.whl 938.2 kB Aug 25, 2026	CPython 3.11	CPython 3.11	macOS 10.12+ x86-64	Details
readcon_db-0.1.5-cp310-cp310-win_amd64.whl 915.7 kB Aug 25, 2026	CPython 3.10	CPython 3.10	Windows x86-64	Details
readcon_db-0.1.5-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.10	CPython 3.10	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 996.8 kB Aug 25, 2026	CPython 3.10	CPython 3.10	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.5-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Aug 25, 2026	CPython 3.9	CPython 3.9	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.5-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Aug 25, 2026	CPython 3.9	CPython 3.9	Linux glibc 2.17+ ARM64	Details

Total release size: 32.3 MB

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Release files / readcon_db-0.1.5-cp314-cp314t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

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Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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SHA-256 checksum: 04b06c28d3fea6529acfb7d97386d45c2c3e19bf2c0800a152ab351e26cc6954 Verifying attestations

Release files / readcon_db-0.1.5-cp314-cp314t-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Provenance

Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp314-cp314-win_amd64.whl

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Provenance

Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp314-cp314-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

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Provenance

Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp314-cp314-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Provenance

Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp314-cp314-macosx_11_0_arm64.whl

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Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Artifact

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Release files / readcon_db-0.1.5-cp314-cp314-macosx_10_12_x86_64.whl

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Provenance

Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp313-cp313-win_amd64.whl

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Provenance

Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

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Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp313-cp313-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Uploaded using Trusted Publishing? What is trusted publishing?	Yes
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Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp313-cp313-macosx_11_0_arm64.whl

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Uploaded using Trusted Publishing? What is trusted publishing?	Yes
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Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Artifact

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Release files / readcon_db-0.1.5-cp313-cp313-macosx_10_12_x86_64.whl

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Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Artifact

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Release files / readcon_db-0.1.5-cp312-cp312-win_amd64.whl

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Uploaded using Trusted Publishing? What is trusted publishing?	Yes
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Provenance

Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Artifact

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Release files / readcon_db-0.1.5-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

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Upload date	Aug 25, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Artifact

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Release files / readcon_db-0.1.5-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Upload date	Aug 25, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/7.0.0 CPython/3.13.14`

Provenance

Identity

Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Artifact

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release files / readcon_db-0.1.5-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/b76b891ce3655260a38999dd47c8e0da4936f76a

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Release history Release notifications | RSS feed

0.1.6

Sep 2, 2026 34 release files

This release

0.1.5 This release

Aug 25, 2026 34 release files

0.1.4

Aug 15, 2026 34 release files

0.1.2

Jun 28, 2026 2 release files

readcon-db 0.1.5

readcon-db

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