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18 changes: 18 additions & 0 deletions .copier-answers.yml
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# Changes here will be overwritten by Copier
_commit: 5.0.2
_src_path: https://github.com/DiamondLightSource/python-copier-template.git
author_email: l.haddad@diamond.ac.uk
author_name: Lucy Haddad
component_lifecycle: experimental
component_owner: group:default/spectroscopy
component_type: library
description: A python package for processing and analysis of X-ray spectroscopy data
distribution_name: xas-toolbox
docker: false
docs_type: README
git_platform: github.com
github_org: DiamondLightSource
package_name: xas_toolbox
pypi: false
repo_name: xas-toolbox
type_checker: mypy
72 changes: 72 additions & 0 deletions .devcontainer/devcontainer.json
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// For format details, see https://containers.dev/implementors/json_reference/
{
"name": "Python 3 Developer Container",
"build": {
"dockerfile": "../Dockerfile",
"target": "developer"
},
"remoteEnv": {
// Allow X11 apps to run inside the container
"DISPLAY": "${localEnv:DISPLAY}",
// Put things that allow it in the persistent cache
"PRE_COMMIT_HOME": "/cache/pre-commit",
"UV_CACHE_DIR": "/cache/uv",
"UV_PYTHON_CACHE_DIR": "/cache/uv-python",
// Make a venv that is specific for this workspace path as the cache is shared
"UV_PROJECT_ENVIRONMENT": "/cache/venv-for${localWorkspaceFolder}",
// Do the equivalent of "activate" the venv so we don't have to "uv run" everything
"VIRTUAL_ENV": "/cache/venv-for${localWorkspaceFolder}",
"PATH": "/cache/venv-for${localWorkspaceFolder}/bin:${containerEnv:PATH}"
},
"customizations": {
"vscode": {
// Set *default* container specific settings.json values on container create.
"settings": {
// Use the container's python by default
"python.defaultInterpreterPath": "/cache/venv-for${localWorkspaceFolder}/bin/python",
// Don't activate the venv as it is already in the PATH
"python.terminal.activateEnvInCurrentTerminal": false,
"python.terminal.activateEnvironment": false,
// Workaround to prevent garbled python REPL in the terminal
// https://github.com/microsoft/vscode-python/issues/25505
"python.terminal.shellIntegration.enabled": false
},
// Add the IDs of extensions you want installed when the container is created.
"extensions": [
"ms-python.python",
"github.vscode-github-actions",
"tamasfe.even-better-toml",
"redhat.vscode-yaml",
"ryanluker.vscode-coverage-gutters",
"charliermarsh.ruff",
"ms-azuretools.vscode-docker"
]
}
},
// Create the config folder for the bash-config feature and uv cache
"initializeCommand": "mkdir -p ${localEnv:HOME}/.config/terminal-config",
"runArgs": [
// Allow the container to access the host X11 display and EPICS CA
"--net=host",
// Make sure SELinux does not disable with access to host filesystems like tmp
"--security-opt=label=disable"
],
"mounts": [
// Mount in the user terminal config folder so it can be edited
{
"source": "${localEnv:HOME}/.config/terminal-config",
"target": "/user-terminal-config",
"type": "bind"
},
// Keep a persistent cross container cache for uv, pre-commit, and the venvs
{
"source": "devcontainer-shared-cache",
"target": "/cache",
"type": "volume"
}
],
// Mount the parent as /workspaces so we can pip install peers as editable
"workspaceMount": "source=${localWorkspaceFolder}/..,target=/workspaces,type=bind",
// After the container is created, recreate the venv then make pre-commit first run faster
"postCreateCommand": "uv venv --clear && uv sync && pre-commit install --install-hooks"
}
27 changes: 27 additions & 0 deletions .github/CONTRIBUTING.md
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# Contribute to the project

Contributions and issues are most welcome! All issues and pull requests are
handled through [GitHub](https://github.com/DiamondLightSource/xas_toolbox/issues). Also, please check for any existing issues before
filing a new one. If you have a great idea but it involves big changes, please
file a ticket before making a pull request! We want to make sure you don't spend
your time coding something that might not fit the scope of the project.

## Issue or Discussion?

Github also offers [discussions](https://github.com/DiamondLightSource/xas_toolbox/discussions) as a place to ask questions and share ideas. If
your issue is open ended and it is not obvious when it can be "closed", please
raise it as a discussion instead.

## Code Coverage

While 100% code coverage does not make a library bug-free, it significantly
reduces the number of easily caught bugs! Please make sure coverage remains the
same or is improved by a pull request!

## Developer Information

It is recommended that developers use a [vscode devcontainer](https://code.visualstudio.com/docs/devcontainers/containers). This repository contains configuration to set up a containerized development environment that suits its own needs.

This project was created using the [Diamond Light Source Copier Template](https://github.com/DiamondLightSource/python-copier-template) for Python projects.

For more information on common tasks like setting up a developer environment, running the tests, and setting a pre-commit hook, see the template's [How-to guides](https://diamondlightsource.github.io/python-copier-template/5.0.2/how-to.html).
21 changes: 21 additions & 0 deletions .github/ISSUE_TEMPLATE/bug_report.md
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---
name: Bug Report
about: The template to use for reporting bugs and usability issues
title: " "
labels: 'bug'
assignees: ''

---

Describe the bug, including a clear and concise description of the expected behaviour, the actual behavior and the context in which you encountered it (ideally include details of your environment).

## Steps To Reproduce
Steps to reproduce the behavior:
1. Go to '...'
2. Click on '....'
3. Scroll down to '....'
4. See error


## Acceptance Criteria
- Specific criteria that will be used to judge if the issue is fixed
13 changes: 13 additions & 0 deletions .github/ISSUE_TEMPLATE/issue.md
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---
name: Issue
about: The standard template to use for feature requests, design discussions and tasks
title: " "
labels: ''
assignees: ''

---

A brief description of the issue, including specific stakeholders and the business case where appropriate

## Acceptance Criteria
- Specific criteria that will be used to judge if the issue is fixed
8 changes: 8 additions & 0 deletions .github/PULL_REQUEST_TEMPLATE/pull_request_template.md
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Fixes #ISSUE

### Instructions to reviewer on how to test:
1. Do thing x
2. Confirm thing y happens

### Checks for reviewer
- [ ] Would the PR title make sense to a user on a set of release notes
11 changes: 11 additions & 0 deletions .github/pages/index.html
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<!DOCTYPE html>
<html>

<head>
<title>Redirecting to main branch</title>
<meta charset="utf-8">
<meta http-equiv="refresh" content="0; url=./main/index.html">
<link rel="canonical" href="main/index.html">
</head>

</html>
96 changes: 96 additions & 0 deletions .github/pages/make_switcher.py
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"""Make switcher.json to allow docs to switch between different versions."""

import json
import logging
from argparse import ArgumentParser
from pathlib import Path
from subprocess import CalledProcessError, check_output


def report_output(stdout: bytes, label: str) -> list[str]:
"""Print and return something received frm stdout."""
ret = stdout.decode().strip().split("\n")
print(f"{label}: {ret}")
return ret


def get_branch_contents(ref: str) -> list[str]:
"""Get the list of directories in a branch."""
stdout = check_output(["git", "ls-tree", "-d", "--name-only", ref])
return report_output(stdout, "Branch contents")


def get_sorted_tags_list() -> list[str]:
"""Get a list of sorted tags in descending order from the repository."""
stdout = check_output(["git", "tag", "-l", "--sort=-v:refname"])
return report_output(stdout, "Tags list")


def get_versions(ref: str, add: str | None) -> list[str]:
"""Generate the file containing the list of all GitHub Pages builds."""
# Get the directories (i.e. builds) from the GitHub Pages branch
try:
builds = set(get_branch_contents(ref))
except CalledProcessError:
builds = set()
logging.warning(f"Cannot get {ref} contents")

# Add and remove from the list of builds
if add:
builds.add(add)

# Get a sorted list of tags
tags = get_sorted_tags_list()

# Make the sorted versions list from main branches and tags
versions: list[str] = []
for version in ["master", "main"] + tags:
if version in builds:
versions.append(version)
builds.remove(version)

# Add in anything that is left to the bottom
versions += sorted(builds)
print(f"Sorted versions: {versions}")
return versions


def write_json(path: Path, repository: str, versions: list[str]):
"""Write the JSON switcher to path."""
org, repo_name = repository.split("/")
struct = [
{"version": version, "url": f"https://{org}.github.io/{repo_name}/{version}/"}
for version in versions
]
text = json.dumps(struct, indent=2)
print(f"JSON switcher:\n{text}")
path.write_text(text, encoding="utf-8")


def main(args=None):
"""Parse args and write switcher."""
parser = ArgumentParser(
description="Make a versions.json file from gh-pages directories"
)
parser.add_argument(
"--add",
help="Add this directory to the list of existing directories",
)
parser.add_argument(
"repository",
help="The GitHub org and repository name: ORG/REPO",
)
parser.add_argument(
"output",
type=Path,
help="Path of write switcher.json to",
)
args = parser.parse_args(args)

# Write the versions file
versions = get_versions("origin/gh-pages", args.add)
write_json(args.output, args.repository, versions)


if __name__ == "__main__":
main()
37 changes: 37 additions & 0 deletions .github/workflows/_dist.yml
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on:
workflow_call:

jobs:
build:
runs-on: "ubuntu-latest"

steps:
- name: Checkout
uses: actions/checkout@v5
with:
# Need this to get version number from last tag
fetch-depth: 0

- name: Install uv
uses: astral-sh/setup-uv@v7

- name: Build sdist and wheel
run: >
export SOURCE_DATE_EPOCH=$(git log -1 --pretty=%ct) &&
uvx --from build pyproject-build

- name: Upload sdist and wheel as artifacts
uses: actions/upload-artifact@v4
with:
name: dist
path: dist

- name: Check for packaging errors
run: uvx twine check --strict dist/*

- name: Install produced wheel
run: python -m pip install dist/*.whl

- name: Test module --version works using the installed wheel
# If more than one module in src/ replace with module name to test
run: python -m $(ls --hide='*.egg-info' src | head -1) --version
32 changes: 32 additions & 0 deletions .github/workflows/_release.yml
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on:
workflow_call:

jobs:
artifacts:
runs-on: ubuntu-latest

steps:
- name: Download artifacts
uses: actions/download-artifact@v5
with:
merge-multiple: true

- name: Zip up docs
run: |
set -vxeuo pipefail
if [ -d html ]; then
mv html $GITHUB_REF_NAME
zip -r docs.zip $GITHUB_REF_NAME
rm -rf $GITHUB_REF_NAME
fi

- name: Create GitHub Release
# We pin to the SHA, not the tag, for security reasons.
# https://docs.github.com/en/actions/learn-github-actions/security-hardening-for-github-actions#using-third-party-actions
uses: softprops/action-gh-release@6da8fa9354ddfdc4aeace5fc48d7f679b5214090 # v2.4.1
with:
prerelease: ${{ contains(github.ref_name, 'a') || contains(github.ref_name, 'b') || contains(github.ref_name, 'rc') }}
files: "*"
generate_release_notes: true
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
39 changes: 39 additions & 0 deletions .github/workflows/_test.yml
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on:
workflow_call:
inputs:
python-version:
type: string
description: The version of python to install, default is from .python-version file
default: ""
runs-on:
type: string
description: The runner to run this job on
required: true

env:
# https://github.com/pytest-dev/pytest/issues/2042
PY_IGNORE_IMPORTMISMATCH: "1"
UV_PYTHON: ${{ inputs.python-version }}

jobs:
run:
runs-on: ${{ inputs.runs-on }}

steps:
- name: Checkout
uses: actions/checkout@v5
with:
# Need this to get version number from last tag
fetch-depth: 0

- name: Install uv
uses: astral-sh/setup-uv@v7

- name: Run tests
run: uv run --locked tox -e tests

- name: Upload coverage to Codecov
uses: codecov/codecov-action@v5
with:
name: ${{ inputs.python-version }}/${{ inputs.runs-on }}
files: cov.xml
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