hklpy2-solvers 0.1.4__tar.gz

hklpy2_solvers-0.1.4/.github/dependabot.yml

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+version: 2
+updates:
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      interval: "weekly"
+
+  - package-ecosystem: "pip"
+    directory: "/"
+    schedule:
+      interval: "weekly"

hklpy2_solvers-0.1.4/.github/workflows/ci.yml

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+name: CI
+
+on:
+  push:
+    branches: [main]
+  pull_request:
+    branches: [main]
+
+jobs:
+  test:
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ["3.10", "3.11", "3.12", "3.13"]
+
+    steps:
+      - uses: actions/checkout@v6
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v6
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install package with dev dependencies
+        run: pip install -e ".[dev]"
+
+      - name: Lint with ruff
+        run: ruff check .
+
+      - name: Check formatting with ruff
+        run: ruff format --check .
+
+      - name: Run tests with coverage
+        run: |
+          coverage run --source=hklpy2_solvers --concurrency=thread --parallel-mode -m pytest -q
+          coverage combine
+          coverage report --precision 3 -m

hklpy2_solvers-0.1.4/.github/workflows/pypi.yml

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+name: Publish to PyPI
+
+on:
+  push:
+    branches: [main]
+    tags: ["v*"]
+
+permissions:
+  id-token: write
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v6
+        with:
+          fetch-depth: 0  # full history for setuptools-scm
+
+      - name: Set up Python
+        uses: actions/setup-python@v6
+        with:
+          python-version: "3.12"
+
+      - name: Install build tools
+        run: pip install build
+
+      - name: Build package
+        run: python -m build
+
+      - name: Upload dist artifacts
+        uses: actions/upload-artifact@v7
+        with:
+          name: dist
+          path: dist/
+
+  publish:
+    if: startsWith(github.ref, 'refs/tags/v')
+    needs: build
+    runs-on: ubuntu-latest
+    environment: pypi
+    permissions:
+      id-token: write
+    steps:
+      - name: Download dist artifacts
+        uses: actions/download-artifact@v8
+        with:
+          name: dist
+          path: dist/
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1

hklpy2_solvers-0.1.4/.gitignore

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+# custom for GitHub Actions workflow
+conda_env.yml
+pip_req.txt
+
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+env/
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+*.egg-info/
+.installed.cfg
+*.egg
+
+# PyInstaller
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.coverage*
+.cache
+nosetests.xml
+coverage.xml
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+
+# Sphinx documentation
+docs/_build/
+docs/source/_build/
+docs/source/autoapi
+
+# PyBuilder
+target/
+
+# Original file
+*.pyc
+*.swp
+*.bak
+
+# PyCharm
+.idea/
+.ropeproject
+
+# notebook checkpoints
+.ipynb_checkpoints
+
+# Microsoft VS Code editor
+.vscode/
+.history/
+
+# PyTest cache
+.pytest_cache/
+
+# Virtual environments
+.venv/
+venv/
+
+# Bluesky session logger
+.logs/
+
+# local developer files
+dev_*
+.dev/
+
+# RE.md saved by local bluesky session
+.re_md_dict.yml
+
+# EPICS softIoc
+.iocsh_history
+
+# Droppings by our IT group
+.loglogin
+
+# Claude
+.claude/
+
+# hatch-vcs generated version file
+src/hklpy2_solvers/_version.py
+
+# ruff cache
+.ruff_cache/

hklpy2_solvers-0.1.4/.pre-commit-config.yaml

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+# hint: pre-commit run --all-files
+
+default_language_version:
+  python: python3.13
+
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v6.0.0
+    hooks:
+      - id: check-yaml
+      - id: check-toml
+      - id: check-ast
+      - id: check-merge-conflict
+      - id: check-added-large-files
+        args: ["--maxkb=2000"]
+      - id: mixed-line-ending
+      - id: end-of-file-fixer
+      - id: trailing-whitespace
+      - id: check-case-conflict
+      - id: check-executables-have-shebangs
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.15.6
+    hooks:
+      - id: ruff # replaces Flake8, isort, pydocstyle, pyupgrade
+        args:
+          - --fix
+      - id: ruff-format # replaces Black

hklpy2_solvers-0.1.4/AGENTS.md

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+# AI Agent advice for hklpy2_solvers
+
+<https://agents.md>
+
+## Purpose
+
+Goal: Short guide for coding agents (auto-formatters, linters, CI bots, test runners, codegen agents) working on this Python project.
+
+## Code Style
+
+- Concise type annotations
+- code location described in pyproject.toml
+- style information described in pyproject.toml
+- `pre-commit run --all-files`
+
+
+## Agent pytest style (for automated agents) - MANDATORY
+
+---
+
+**CRITICAL: All test code MUST follow this pattern. Tests not following this pattern will be rejected.**
+
+### Requirements
+
+1. **ALWAYS use parametrized pytest** with `parms, context` as the parameter names
+2. **ALWAYS use `pytest.param()`** for each parameter set with `id="..."`
+3. **ALWAYS use context managers**: `does_not_raise()` for success, `pytest.raises(...)` for failures
+4. **ALWAYS put all functional code and assertions inside `with context:` block**
+5. **ALWAYS use `match=re.escape(...)` with `pytest.raises(...)`** for exception matching
+6. **ALWAYS include failure test cases** - parameter sets that are expected to raise exceptions must use `pytest.raises(...)`
+7. **NEVER create separate test functions** for success vs failure cases
+8. **NEVER use try/except** for test logic
+9. **NEVER use the deprecated `assert_context_result()` helper**
+
+### Import requirements
+
+```python
+from contextlib import nullcontext as does_not_raise
+import pytest
+```
+
+### Correct pattern (copy this exactly):
+
+```py
+@pytest.mark.parametrize(
+    "parms, context",
+    [
+        pytest.param(
+            dict(some_param=value1),
+            does_not_raise(),
+            id="description of test case 1",
+        ),
+        pytest.param(
+            dict(some_param=invalid_value),
+            pytest.raises(SomeError, match=re.escape("expected message")),
+            id="description of test case 2",
+        ),
+    ],
+)
+def test_function_name(parms, context):
+    with context:
+        # ALL code that might raise goes HERE
+        result = object_under_test.method(**parms)
+        # ALL assertions go HERE (inside the with block)
+        assert result.expected_attribute == some_value
+```
+
+### Common mistakes to avoid
+
+- NOT this:
+  ```py
+  def test_something():
+      # setup code...
+      # test code...
+  ```
+
+- NOT this:
+  ```py
+  def test_success_case():
+      # code...
+      assert result == expected
+
+  def test_failure_case():
+      with pytest.raises(...):
+          # code...
+  ```
+
+- NOT this:
+  ```py
+  @pytest.mark.parametrize(...)
+  def test_something(values):
+      try:
+          result = do_something(values)
+      except SomeError:
+          # wrong!
+  ```
+
+- ALWAYS this:
+  ```py
+  @pytest.mark.parametrize(
+      "parms, context",
+      [
+          pytest.param(dict(value=valid), does_not_raise(), id="valid case"),
+          pytest.param(dict(value=invalid), pytest.raises(Error), id="error case"),
+      ],
+  )
+  def test_something(parms, context):
+      with context:
+          result = do_something(**parms)
+  ```
+
+## Enforcement
+
+PRs opened or modified by automated agents must follow the "Agent pytest style" described above. Reviewers and CI will check for this pattern (test parametrization and use of context managers for expected outcomes, both successful and failed). Changes from agents that do not comply may be requested for revision or reverted.
+
+## Agent behavior rules
+
+- Always follow the project's formatting, linting, and typing configs.
+- Make minimal, focused changes; prefer separate commits per concern.
+- Add or update tests for any behavioral change.
+- Include clear commit messages and PR descriptions.
+- If uncertain about design, open an issue instead of making large changes.
+- Respect branch protection: push to feature branches and create PRs.
+
+## Test style
+
+- All test code for MODULE.py goes in file tests/test_MODULE.py
+- tests should be written and organized using the project's test style guidelines.
+- use parametrized pytests
+- Prefer parameter sets that simulate user interactions
+- all tests run code within context
+- maximize code coverage
+- Use parametrized pytests
+  - Generate additional parameters and sets to minimize the number of test functions.
+  - Place all functional code in a parametrized context.
+    - use parameter for does_not_raise() or pytest.raises(...) as fits the parameter set
+      - `from contextlib import nullcontext as does_not_raise`
+    - do not separate success and errors tests into different test functions
+    - do not separate success and errors tests using try..except
+
+## Inputs & outputs
+
+- Inputs: file diffs, test results, config files, repository metadata
+- Outputs: patch/commit, tests, updated docs, CI status
+
+## Running locally
+
+- Setup: create virtualenv, `pip install -e .[all]`
+- Common commands:
+  - Format & Lint: `make style` or `pre-commit run --all-files`
+  - Test: `pytest ./src`
+
+### pre-commit on NFS home directories
+
+The pre-commit cache (`~/.cache/pre-commit`) lives on NFS on this system
+(`aquila:/export/beams1`).  Setuptools' wheel-build cleanup uses `os.rmdir()`
+which fails non-deterministically on NFS because directory-entry removals are
+not immediately visible.  Symptom: `[Errno 39] Directory not empty` during
+`pip install` for any pre-commit hook environment.
+
+**Fix:** keep the pre-commit cache on local disk:
+
+```bash
+export PRE_COMMIT_HOME=/tmp/pre-commit-JEMIAN   # in ~/.bashrc and ~/.profile
+```
+
+This is already set in `~/.bashrc`, `~/.profile`, and hardcoded in
+`.git/hooks/pre-commit` (between the `# end templated` line and the `HERE=`
+line).  If `pre-commit install` regenerates the hook, re-add that line:
+
+```bash
+# Use local disk for pre-commit cache (avoids NFS rmdir failures)
+export PRE_COMMIT_HOME=/tmp/pre-commit-JEMIAN
+```
+
+The `Makefile` `pre` target also exports this variable automatically.
+
+## CI integration
+
+- Format and lint in pre-commit job
+- Run tests and dependency audit on PRs.
+
+## Minimal example PR checklist
+
+- Runs formatting and linting locally
+- Adds/updates tests for changes
+- Updates `RELEASE_NOTES.rst` under the current development heading
+- Marks PR as draft if large refactor
+
+## Release Notes
+
+- Update `RELEASE_NOTES.rst` as part of every PR that introduces a new
+  feature, fix, enhancement, or maintenance change.
+- Add the entry under the current development version heading (the topmost
+  unreleased section inside the ``.. comment`` block).
+- Entries should be terse — one or two lines — and reference the issue or PR
+  number with ``:issue:`N``` or ``:pr:`N```.
+- Use the appropriate subsection and keep subsections in the logical order
+  defined at the top of ``RELEASE_NOTES.rst``: Notice, Breaking Changes, New
+  Features, Enhancements, Fixes, Maintenance, Deprecations, New Contributors.
+- Sort entries alphabetically within each subsection.
+
+## Git Issues, Branches, Commits, and Pull Requests
+
+All non-trivial work follows this lifecycle: **Issue -> Branch -> Commits ->
+Pull Request**. Each step is described below with the concrete rules agents
+must follow.
+
+### Issues
+
+Every piece of work starts with an issue. Issues answer the most expensive
+question in code maintenance: *Why is this change being made?*
+
+- An issue describes the observation, bug, feature request, or maintenance
+  task that motivates the work.
+- Do not begin coding without a corresponding issue (the only exception is a
+  truly trivial fix that needs no explanation).
+
+### Branches
+
+All development happens on feature branches, never directly on `main`.
+
+- **Naming convention**: `<ISSUE_NUMBER>-<CONCISE-TITLE>`
+  - The concise title is derived from the issue title, using lowercase words
+    separated by hyphens.
+  - Example: for issue #42 titled "Add timeout to LDAP queries", the branch
+    name is `42-add-ldap-timeout`.
+- Create the branch from the current `main`:
+  `git checkout -b <branch-name> main`
+- Push with tracking: `git push -u origin <branch-name>`
+
+### Commits
+
+Write commit messages following the
+[Conventional Commits](https://www.conventionalcommits.org/) style with the
+issue number included.
+
+**Format:**
+
+```text
+<PREFIX> #<ISSUE_NUMBER> concise subject line
+
+Optional body with additional context.
+Agent: <agent name> (<model name>)
+```
+
+**Prefix values** (use the one that best describes the change):
+
+| Prefix | Use for |
+|--------|---------|
+| `feat` | New feature or capability |
+| `fix` | Bug fix |
+| `docs` | Documentation only |
+| `refactor` | Code restructuring, no behavior change |
+| `style` | Formatting, linting, whitespace |
+| `maint` | Maintenance, dependency updates, housekeeping |
+| `ci` | CI/CD configuration |
+| `test` | Adding or updating tests |
+
+**Examples:**
+
+```text
+feat #42 add configurable timeout to LDAP queries
+
+Default timeout is 30 s; configurable via dm_config.ini.
+Agent: OpenCode (claudesonnet46)
+```
+
+```text
+docs #15 update AGENTS.md with branching workflow
+```
+
+### Pull Requests
+
+A Pull Request (PR) describes *how* an issue has been (or will be) addressed.
+
+- Every PR **must** reference at least one issue.
+- The PR body **must** include a `closes #N` directive for the issue it
+  resolves. Use a bullet list at the top of the PR body:
+
+  ```md
+  - closes #42
+  - #15
+  ```
+
+  Using `closes #N` will auto-close the issue when the PR is merged.
+- The PR title should be a concise summary of the change.
+- Assign the PR to the user running the agent (determine with ``gh api user --jq '.login'``).
+- Copy the issue's labels, project(s), milestone, and status to the PR.
+- Sign the PR body with the agent and model name:
+
+  ```md
+  Agent: OpenCode (claudesonnet46)
+  ```
+
+- PR discussion comments should explain the approach, trade-offs, and any
+  open questions.
+- Sign all PR and issue comments with the agent and model name:
+
+  ```md
+  Agent: OpenCode (claudesonnet46)
+  ```
+
+## Notes
+
+- Keep agent actions small, reversible, and reviewable.
+- When updating a file, verify that a change has actually been made by comparing
+  the mtime before and after the edits.
+
+## Code Coverage
+
+- Aim for 100% coverage, but prioritize meaningful tests over simply hitting every line.

hklpy2_solvers-0.1.4/LICENSE

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+Copyright (c) 2025-2026, UChicago Argonne, LLC
+
+All Rights Reserved
+
+hklpy2_solvers
+
+BCDA, Advanced Photon Source, Argonne National Laboratory
+
+
+OPEN SOURCE LICENSE
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are met:
+
+1. Redistributions of source code must retain the above copyright notice,
+   this list of conditions and the following disclaimer.  Software changes,
+   modifications, or derivative works, should be noted with comments and
+   the author and organization's name.
+
+2. Redistributions in binary form must reproduce the above copyright notice,
+   this list of conditions and the following disclaimer in the documentation
+   and/or other materials provided with the distribution.
+
+3. Neither the names of UChicago Argonne, LLC or the Department of Energy
+   nor the names of its contributors may be used to endorse or promote
+   products derived from this software without specific prior written
+   permission.
+
+4. The software and the end-user documentation included with the
+   redistribution, if any, must include the following acknowledgment:
+
+   "This product includes software produced by UChicago Argonne, LLC
+   under Contract No. DE-AC02-06CH11357 with the Department of Energy."
+
+****************************************************************************
+
+DISCLAIMER
+
+THE SOFTWARE IS SUPPLIED "AS IS" WITHOUT WARRANTY OF ANY KIND.
+
+Neither the United States GOVERNMENT, nor the United States Department
+of Energy, NOR uchicago argonne, LLC, nor any of their employees, makes
+any warranty, express or implied, or assumes any legal liability or
+responsibility for the accuracy, completeness, or usefulness of any
+information, data, apparatus, product, or process disclosed, or
+represents that its use would not infer privately owned rights.
+
+****************************************************************************

hklpy2_solvers-0.1.4/Makefile

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+# Makefile to support common developer commands
+
+# Keep pre-commit cache on local disk (avoids NFS rmdir failures on this system).
+# See AGENTS.md "pre-commit on NFS home directories" for details.
+export PRE_COMMIT_HOME := /tmp/pre-commit-JEMIAN
+
+all :: style coverage
+
+coverage:
+	coverage run --concurrency=thread --parallel-mode -m pytest -q ./src
+	coverage combine
+	coverage report --precision 3 -m
+	coverage html
+
+isort:
+	isort --sl ./src
+
+pre:
+	pre-commit run --all-files
+	ruff check .
+
+style :: isort pre
+
+test:
+	pytest -q --lf ./src

hklpy2_solvers-0.1.4/PKG-INFO

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+Metadata-Version: 2.4
+Name: hklpy2-solvers
+Version: 0.1.4
+Summary: Solvers for the hklpy2 package
+Project-URL: homepage, https://github.com/prjemian/hklpy2_solvers
+Project-URL: issues, https://github.com/prjemian/hklpy2_solvers/issues
+Project-URL: source, https://github.com/prjemian/hklpy2_solvers
+Author-email: Pete Jemian <prjemian+hklpy2@gmail.com>
+Maintainer-email: Pete Jemian <prjemian+hklpy2@gmail.com>
+License-Expression: LicenseRef-UChicago-Argonne-LLC-License
+License-File: LICENSE
+Keywords: bluesky,diffraction,diffractometer,hklpy2,solver
+Classifier: Development Status :: 2 - Pre-Alpha
+Classifier: Environment :: Console
+Classifier: Intended Audience :: Science/Research
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python
+Classifier: Programming Language :: Python :: 3
+Classifier: Topic :: Scientific/Engineering
+Requires-Python: >=3.10
+Requires-Dist: diffcalc-core
+Requires-Dist: hklpy2
+Requires-Dist: numpy
+Provides-Extra: all
+Requires-Dist: build; extra == 'all'
+Requires-Dist: coverage; extra == 'all'
+Requires-Dist: isort; extra == 'all'
+Requires-Dist: pre-commit; extra == 'all'
+Requires-Dist: pytest; extra == 'all'
+Requires-Dist: pytest-cov; extra == 'all'
+Requires-Dist: ruff; extra == 'all'
+Provides-Extra: dev
+Requires-Dist: build; extra == 'dev'
+Requires-Dist: coverage; extra == 'dev'
+Requires-Dist: isort; extra == 'dev'
+Requires-Dist: pre-commit; extra == 'dev'
+Requires-Dist: pytest; extra == 'dev'
+Requires-Dist: pytest-cov; extra == 'dev'
+Requires-Dist: ruff; extra == 'dev'
+Description-Content-Type: text/markdown
+
+# hklpy2_solvers
+
+[![PyPI](https://img.shields.io/pypi/v/hklpy2-solvers.svg)](https://pypi.org/project/hklpy2-solvers)
+[![License](https://img.shields.io/pypi/l/hklpy2-solvers.svg)](https://github.com/prjemian/hklpy2_solvers/blob/main/LICENSE)
+
+Solvers for the [hklpy2](https://github.com/prjemian/hklpy2) package.
+
+## Solvers
+
+| Solver | Library | Geometry | Description |
+| --- | --- | --- | --- |
+| `diffcalc` | [diffcalc-core](https://github.com/DiamondLightSource/diffcalc-core) | 4S+2D six-circle | You (1999) six-circle diffractometer (mu, delta, nu, eta, chi, phi) |
+
+## Installation
+
+```bash
+pip install hklpy2-solvers
+```
+
+## Development
+
+```bash
+git clone https://github.com/prjemian/hklpy2_solvers
+cd hklpy2_solvers
+pip install -e ".[dev]"
+pytest
+```
+
+## Versioning
+
+Versions are derived automatically from git tags using [hatch-vcs](https://github.com/ofek/hatch-vcs).
+To release a new version, create an annotated git tag:
+
+```bash
+git tag -a v0.1.0 -m "Release v0.1.0"
+```