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Merge pull request #71 from diffpy/skpkg-migration
Skpkg migration
2 parents e8292b5 + 2005b2f commit 9b16f3b

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‎.clang-format‎

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BasedOnStyle: Google
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IndentWidth: 2
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ContinuationIndentWidth: 2
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TabWidth: 2
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UseTab: Never
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ColumnLimit: 80
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SortIncludes: false

‎.codecov.yml‎

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coverage:
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status:
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project: # more options at https://docs.codecov.com/docs/commit-status
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default:
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target: auto # use the coverage from the base commit, fail if coverage is lower
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threshold: 0% # allow the coverage to drop by
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comment:
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layout: " diff, flags, files"
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behavior: default
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require_changes: false
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require_base: false # [true :: must have a base report to post]
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require_head: false # [true :: must have a head report to post]
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hide_project_coverage: false # [true :: only show coverage on the git diff aka patch coverage]
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# SCons compiles copies of the sources in build/coverage-<arch>/, map them back to src/
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fixes:
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- "build/coverage-x86_64/::src/"

‎.codespell/ignore_lines.txt‎

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;; Please include filenames and explanations for each ignored line.
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;; See https://docs.openverse.org/meta/codespell.html for docs.

‎.codespell/ignore_words.txt‎

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;; Please include explanations for each ignored word (lowercase).
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;; See https://docs.openverse.org/meta/codespell.html for docs.
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;; abbreviation for "materials" often used in a journal title
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mater
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;; Frobenius norm used in np.linalg.norm
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fro
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;; variable name for a pair type multiplicity in BaseDebyeSum.cpp
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multipl
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;; custom scattering factor label used in TestScatteringFactorTable.hpp
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ccustom

‎.flake8‎

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# As of now, flake8 does not natively support configuration via pyproject.toml
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# https://github.com/microsoft/vscode-flake8/issues/135
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[flake8]
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exclude =
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.git,
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__pycache__,
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build,
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dist,
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docs/source/conf.py
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max-line-length = 79
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# Ignore some style 'errors' produced while formatting by 'black'
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# https://black.readthedocs.io/en/stable/guides/using_black_with_other_tools.html#labels-why-pycodestyle-warnings
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extend-ignore = E203

‎.gitattributes‎

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/.gitattributes export-ignore
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/.gitignore export-ignore
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/.travis* export-ignore
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/conda-recipe/ export-ignore
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/doc export-ignore
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/docs export-ignore
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gitarchive.cfg export-subst

‎.github/ISSUE_TEMPLATE/bug_feature.md‎

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---
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name: Bug Report or Feature Request
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about: Report a bug or suggest a new feature!
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title: ""
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labels: ""
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assignees: ""
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---
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### Problem
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<!--
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For a bug report, please copy and paste any error messages from the application or command-line here.
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For a feature request, please state how the new functionality could benefit the community.
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-->
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### Proposed solution

‎.github/ISSUE_TEMPLATE/release_checklist.md‎

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---
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name: Release
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about: Checklist and communication channel for GitHub and conda-forge release
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title: "Ready for <version-number> GitHub/conda-forge release"
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labels: "release"
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assignees: ""
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---
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### GitHub rc-release preparation checklist:
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- [ ] All PRs/issues attached to the release are merged.
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- [ ] All the badges on the README are passing.
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- [ ] License information is verified as correct. If you are unsure, please comment below.
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- [ ] Locally rendered documentation contains all appropriate pages and other human-written text is up-to-date with any changes in the code.
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- [ ] Installation instructions in the README, documentation, and the website are updated.
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- [ ] Grammar and writing quality are checked (no typos).
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- [ ] `FALLBACK_VERSION` in `site_scons/fallback_version.py` is updated to `<version-number>.post0`. Without this, the SCons build fails after tagging.
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- [ ] `scons test` passes locally with the latest conda-forge compilers and dependencies.
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- [ ] Dispatch matrix testing to test the release on all systems. If you do not have permission to run this workflow, tag the maintainer and say `@maintainer, please dispatch matrix testing workflow`. Matrix testing also runs automatically after a GitHub release is published, but it does not block the release, so check that it passes.
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Please tag the maintainer (e.g., @username) in the comment here when you are ready for the GitHub release. Include any additional comments necessary, such as version information and details about the pre-release here:
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### GitHub full-release preparation checklist:
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- [ ] The rc GitHub release and its source tarball appear correctly on the releases page.
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- [ ] Docs are deployed successfully to `https://www.diffpy.org/libdiffpy`.
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- [ ] Successfully run all tests and do functional testing, e.g., with `diffpy.srreal` built against the rc.
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Please let the maintainer know that all checks are done and the package is ready for full release.
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### conda-forge release preparation checklist:
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<!-- After the maintainer releases on GitHub, please check the following when creating a PR for conda-forge release.-->
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- [ ] Ensure that the full release has appeared on GitHub successfully.
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- [ ] `version` and `sha256` of the GitHub source tarball are updated in `meta.yaml` in the feedstock.
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- [ ] New package dependencies listed in `build.txt`, `conda.txt` and `tests.txt` are added to `meta.yaml` in the feedstock.
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- [ ] `license_file` in `meta.yaml` points to `LICENSE.rst` (renamed from `LICENSE.txt`).
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- [ ] Close any open issues on the feedstock. Reach out to the maintainer if you have questions.
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- [ ] Tag the maintainer for conda-forge release.
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### Post-release checklist
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<!-- Before closing this issue, please complete the following: -->
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- [ ] Install the released package from conda-forge and conduct functional testing using the installation guide in the README. Attach screenshots/results as comments.
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- [ ] Documentation (README, API references, and websites) is deployed without broken links or missing figures.

‎.github/PULL_REQUEST_TEMPLATE/pull_request_template.md‎

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### What problem does this PR address?
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<!-- Provide a brief overview and link to the issue. Attach outputs, including screenshots (before/after), if helpful for the reviewer. -->
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### What should the reviewer(s) do?
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<!-- Merge the code, provide feedback, initiate a discussion, etc. -->
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<!--
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Use the following checklist items when applicable (select only what applies):
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- [ ] This PR introduces a public-facing change (e.g., figures, CLI input/output, API).
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- [ ] Documentation (e.g., tutorials, examples, README) has been updated.
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- [ ] A tracking issue or plan to update documentation exists.
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- [ ] This PR affects internal functionality only (no user-facing change).
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-->

‎.github/actions/setup-tests/action.yml‎

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name: Set up C++ tests
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runs:
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using: composite
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steps:
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- name: Fetch upstream release tags
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shell: bash
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run: git fetch --tags https://github.com/diffpy/libdiffpy.git
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- name: Check out CxxTest 4.4
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uses: actions/checkout@v6
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with:
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repository: CxxTest/cxxtest
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ref: 191adddb3876ab389c0c856e1c03874bf70f8ee4
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path: build/cxxtest
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- name: Prepare C++ test configuration
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shell: python {0}
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run: |
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import runpy
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runpy.run_path('.github/scripts/configure-tests.py')
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- name: Create build environment
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uses: conda-incubator/setup-miniconda@v3
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with:
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activate-environment: test
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channels: conda-forge
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conda-remove-defaults: "true"
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auto-update-conda: false
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auto-activate-base: false
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python-version: "3.14"
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environment-file: build/test-environment.yml
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channel-priority: strict

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