Focused fixes, parser fixtures, tests, and documentation improvements are welcome. Open an issue before introducing a new data model, external-tool integration, or matching algorithm. Report security issues through the process in SECURITY.md.
ElecTrace supports CPython 3.11–3.13.
python -m venv .venv
source .venv/bin/activate
python -m pip install --upgrade pip
python -m pip install -e ".[dev]"
ruff check .
ruff format --check .
mypy src
pytestKeep pull requests focused. Include tests for changed behavior, update user-facing documentation when needed, and mention compatibility or scientific consequences. Matching, event, and confidence changes need both a positive case and a meaningful counterexample.
CI must not require network access, licensed software, a cluster, or a DFT run. Use the smallest redistributable fixtures needed to test external-tool adapters, and never commit credentials, pseudopotentials, proprietary executables, or unpublished scientific inputs without authorization.
The electrace.features.v1 format is a public contract. Changes require an updated
schema, example, reader/writer tests, and either a compatible migration or a new
schema identifier.
By contributing, you agree that your work is licensed under the repository's BSD 3-Clause License and that you have the right to submit it. All contributors must follow the Code of Conduct.