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)	mmap CON corpus: indexes (natoms, symbols, energy range, forces/velocities/energy flags), multi-reader, dedup. Blobs are CON text decoded with readcon-core.	docs, `docs/design.md`

ASE is not on the CON or XYZ read path. Optional to_ase is calculator hand-off only.

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/ · 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 0.1.6

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for readcon-db 0.1.6
File	Size	Uploaded
readcon_db-0.1.6.tar.gz	262.5 kB	Sep 2, 2026	Details

Built distributions (wheels)

Table of built distributions (wheels) for readcon-db 0.1.6
File	Interpreter	ABI	Platform	Reset
readcon_db-0.1.6-pp311-pypy311_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	PyPy 3.11	PyPy 3.11 7.3	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-pp311-pypy311_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	PyPy 3.11	PyPy 3.11 7.3	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp315-cp315t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.15	CPython 3.15 free-threading	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp315-cp315t-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 999.4 kB Sep 2, 2026	CPython 3.15	CPython 3.15 free-threading	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp315-cp315-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.15	CPython 3.15	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp315-cp315-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	CPython 3.15	CPython 3.15	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp314-cp314t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.14	CPython 3.14 free-threading	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp314-cp314t-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 999.3 kB Sep 2, 2026	CPython 3.14	CPython 3.14 free-threading	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp314-cp314-win_amd64.whl 924.7 kB Sep 2, 2026	CPython 3.14	CPython 3.14	Windows x86-64	Details
readcon_db-0.1.6-cp314-cp314-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.14	CPython 3.14	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp314-cp314-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	CPython 3.14	CPython 3.14	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp314-cp314-macosx_11_0_arm64.whl 904.8 kB Sep 2, 2026	CPython 3.14	CPython 3.14	macOS 11.0+ ARM64	Details
readcon_db-0.1.6-cp314-cp314-macosx_10_12_x86_64.whl 940.2 kB Sep 2, 2026	CPython 3.14	CPython 3.14	macOS 10.12+ x86-64	Details
readcon_db-0.1.6-cp313-cp313-win_amd64.whl 924.8 kB Sep 2, 2026	CPython 3.13	CPython 3.13	Windows x86-64	Details
readcon_db-0.1.6-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.13	CPython 3.13	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp313-cp313-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	CPython 3.13	CPython 3.13	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp313-cp313-macosx_11_0_arm64.whl 904.6 kB Sep 2, 2026	CPython 3.13	CPython 3.13	macOS 11.0+ ARM64	Details
readcon_db-0.1.6-cp313-cp313-macosx_10_12_x86_64.whl 940.6 kB Sep 2, 2026	CPython 3.13	CPython 3.13	macOS 10.12+ x86-64	Details
readcon_db-0.1.6-cp312-cp312-win_amd64.whl 925.4 kB Sep 2, 2026	CPython 3.12	CPython 3.12	Windows x86-64	Details
readcon_db-0.1.6-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.12	CPython 3.12	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	CPython 3.12	CPython 3.12	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp312-cp312-macosx_11_0_arm64.whl 905.2 kB Sep 2, 2026	CPython 3.12	CPython 3.12	macOS 11.0+ ARM64	Details
readcon_db-0.1.6-cp312-cp312-macosx_10_12_x86_64.whl 941.2 kB Sep 2, 2026	CPython 3.12	CPython 3.12	macOS 10.12+ x86-64	Details
readcon_db-0.1.6-cp311-cp311-win_amd64.whl 928.0 kB Sep 2, 2026	CPython 3.11	CPython 3.11	Windows x86-64	Details
readcon_db-0.1.6-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.11	CPython 3.11	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	CPython 3.11	CPython 3.11	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp311-cp311-macosx_11_0_arm64.whl 908.5 kB Sep 2, 2026	CPython 3.11	CPython 3.11	macOS 11.0+ ARM64	Details
readcon_db-0.1.6-cp311-cp311-macosx_10_12_x86_64.whl 942.4 kB Sep 2, 2026	CPython 3.11	CPython 3.11	macOS 10.12+ x86-64	Details
readcon_db-0.1.6-cp310-cp310-win_amd64.whl 928.9 kB Sep 2, 2026	CPython 3.10	CPython 3.10	Windows x86-64	Details
readcon_db-0.1.6-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.10	CPython 3.10	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	CPython 3.10	CPython 3.10	Linux glibc 2.17+ ARM64	Details
readcon_db-0.1.6-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl 1.0 MB Sep 2, 2026	CPython 3.9	CPython 3.9	Linux glibc 2.17+ x86-64	Details
readcon_db-0.1.6-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl 1.0 MB Sep 2, 2026	CPython 3.9	CPython 3.9	Linux glibc 2.17+ ARM64	Details

Total release size: 32.6 MB

Release files / readcon_db-0.1.6.tar.gz

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Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Identity

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp314-cp314t-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/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp314-cp314-win_amd64.whl

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Identity

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Release files / readcon_db-0.1.6-cp314-cp314-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

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Identity

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Release files / readcon_db-0.1.6-cp314-cp314-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Identity

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Release files / readcon_db-0.1.6-cp314-cp314-macosx_11_0_arm64.whl

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Provenance

Identity

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Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-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/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-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/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp313-cp313-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/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp313-cp313-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/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp313-cp313-macosx_11_0_arm64.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/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp313-cp313-macosx_10_12_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/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp312-cp312-win_amd64.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/6c6e1de1501d4cec0490330182571f461f3f4353

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Artifact

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Release files / readcon_db-0.1.6-cp312-cp312-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/6c6e1de1501d4cec0490330182571f461f3f4353

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Artifact

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Release files / readcon_db-0.1.6-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Upload date	Sep 2, 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/6c6e1de1501d4cec0490330182571f461f3f4353

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Artifact

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Release files / readcon_db-0.1.6-cp312-cp312-macosx_11_0_arm64.whl

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Publishing platform: GitHub Actions
Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp310-cp310-win_amd64.whl

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Release files / readcon_db-0.1.6-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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Uploaded via	`twine/7.0.0 CPython/3.13.14`

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Publishing repository: github.com/lode-org/readcon-db
Publishing commit: github.com/lode-org/readcon-db/tree/6c6e1de1501d4cec0490330182571f461f3f4353

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Release history Release notifications | RSS feed

This release

0.1.6 This release

Sep 2, 2026 34 release files

0.1.5

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 0.1.6

readcon-db

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