Commit 57b41d8

`pyobjcryst` is a Python binding (via Boost.Python) of the ObjCryst++ C++

library. It is built and maintained with

[scikit-package](https://scikit-package.github.io/scikit-package/), which

provides the release scripts, CI workflows, and changelog tooling used here.

The C++ bindings live under `src/extensions/`; pure-Python wrappers and

utilities are in `src/pyobjcryst/`. Tests live in `tests/`.

**Any C++ feature or fix must flow through the full chain before it can land

here:**

1. Implement or fix it in [vincefn/objcryst](https://github.com/vincefn/objcryst).

2. Pick it up in [diffpy/libobjcryst](https://github.com/diffpy/libobjcryst)

(libobjcryst is a convenience repackaging — updating the vendored sources

and cutting a release is usually all that is needed).

3. Only then expose or rely on it in pyobjcryst.

If a PR here is blocked on an upstream change, note the upstream issue/PR in

the description and news item.

- Always branch from `main`.

- Use [Conventional Commits](https://www.conventionalcommits.org/) prefixes:

`fix:`, `feat:`, `docs:`, `refactor:`, `test:`, `chore:`, etc.

- Keep commits focused and atomic.

- Make sure `git config user.email` is a verified address on the author's

GitHub account so commits are attributed correctly.

1. Where possible, make the code conform to Billinge group coding

standards. These can be found in the documentation of

[scikit-package](https://scikit-package.github.io/scikit-package/)

1. **News item** — every PR that changes user-visible behaviour must add a

file `news/<PR-number>.rst` following `news/TEMPLATE.rst` (sections:

`Added`, `Changed`, `Deprecated`, `Removed`, `Fixed`, `Security`; leave

unused sections as `* <news item>`).

The `check-news-item` CI job (provided by scikit-package release scripts)

enforces this.

2. **Do not edit `CHANGELOG.rst` directly** — it is auto-generated from the

`news/` items at release time by the scikit-package tooling.

3. Run the test suite locally before pushing if possible: `pytest tests/`

| Workflow | Trigger | What it does |

| ----------------- | -------- | --------------------------------------------------- |

| `tests-on-pr` | every PR | Builds the C extension and runs the full test suite |

| `check-news-item` | every PR | Verifies a `news/<PR-number>.rst` file exists |

Both workflows are provided by `scikit-package/release-scripts`.

**PRs must never be auto-merged.** Every PR requires at least one human

review and approval before merging, regardless of CI status.

Do not use `gh pr merge --auto` or any equivalent automated merge on this

repository.

- Do not force-push to `main`.

- Do not bypass CI or skip the news-item requirement.

- Do not merge PRs autonomously — always leave them open for human review.

- Do not commit secrets, credentials, or large binary files.

- Do not expose a new C++ feature in pyobjcryst before it is available in a

released version of diffpy/libobjcryst.