cpdatakit 0.1.1__tar.gz

cpdatakit-0.1.1/.editorconfig

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+root = true
+
+[*]
+charset = utf-8
+end_of_line = lf
+insert_final_newline = true
+trim_trailing_whitespace = true
+indent_style = space
+indent_size = 4
+
+[*.{yml,yaml,json}]
+indent_size = 2
+
+[*.md]
+trim_trailing_whitespace = false
+

cpdatakit-0.1.1/.github/ISSUE_TEMPLATE/bug.yml

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+name: Bug report
+description: Report reproducible incorrect behavior
+title: "[Bug]: "
+labels: [bug]
+body:
+  - type: textarea
+    id: description
+    attributes: {label: Description, description: What happened and what did you expect?}
+    validations: {required: true}
+  - type: textarea
+    id: reproduce
+    attributes: {label: Reproduction, description: Minimal commands and synthetic data only.}
+    validations: {required: true}
+  - type: input
+    id: versions
+    attributes: {label: Versions, description: CPDataKit, Python, and operating system.}
+    validations: {required: true}
+

cpdatakit-0.1.1/.github/ISSUE_TEMPLATE/config.yml

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+blank_issues_enabled: false
+

cpdatakit-0.1.1/.github/ISSUE_TEMPLATE/data-format.yml

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+name: Data format compatibility
+description: Request or report compatibility with a documented format
+title: "[Format]: "
+labels: [data-format]
+body:
+  - type: input
+    id: format
+    attributes: {label: Format and version, description: Official name and exact version.}
+    validations: {required: true}
+  - type: textarea
+    id: documentation
+    attributes: {label: Public documentation and license, description: Provide authoritative references and redistribution terms.}
+    validations: {required: true}
+  - type: textarea
+    id: conventions
+    attributes: {label: Scientific conventions, description: Units, measures, tensor ordering, orientation, and identifiers.}
+    validations: {required: true}
+  - type: checkboxes
+    id: safety
+    attributes:
+      label: Data safety
+      options:
+        - label: I will not upload restricted, confidential, or commercial-software data.
+          required: true
+

cpdatakit-0.1.1/.github/ISSUE_TEMPLATE/feature.yml

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+name: Feature request
+description: Propose a focused improvement
+title: "[Feature]: "
+labels: [enhancement]
+body:
+  - type: textarea
+    id: problem
+    attributes: {label: Problem, description: Which research-data workflow is blocked?}
+    validations: {required: true}
+  - type: textarea
+    id: proposal
+    attributes: {label: Proposed behavior, description: Include scope and explicit conventions.}
+    validations: {required: true}
+

cpdatakit-0.1.1/.github/dependabot.yml

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+version: 2
+updates:
+  - package-ecosystem: pip
+    directory: "/"
+    schedule:
+      interval: monthly
+    open-pull-requests-limit: 5
+  - package-ecosystem: github-actions
+    directory: "/"
+    schedule:
+      interval: monthly
+    open-pull-requests-limit: 5
+

cpdatakit-0.1.1/.github/pull_request_template.md

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+## Summary
+
+## Tests and documentation
+
+- [ ] `pytest`
+- [ ] `ruff check .`
+- [ ] `ruff format --check .`
+- [ ] Documentation and changelog updated when needed
+
+## Data and scientific conventions
+
+- [ ] Fixtures are synthetic or redistribution-approved
+- [ ] Units and scientific conventions are explicit
+- [ ] No secrets, personal paths, solver binaries, or restricted data are included
+

cpdatakit-0.1.1/.github/release-notes/template.md

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+# CPDataKit vX.Y.Z
+
+## Highlights
+
+## Schema and compatibility changes
+
+## Validation and API changes
+
+## Upgrade notes
+
+## Verification
+
+List the exact test matrix, lint result, build artifacts, and wheel smoke test performed.
+

cpdatakit-0.1.1/.github/release-notes/v0.1.0.md

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+# CPDataKit v0.1.0 - Explicit, solver-neutral data quality foundations
+
+The first alpha release introduces a small Python toolkit for making crystal-plasticity simulation
+datasets explicit, traceable, and easier to inspect. It supports versioned `curve`, `point`, and
+`field2d` profiles; UTF-8 CSV, JSON records, and CPDataKit HDF5; structured validation; explicit
+field/unit normalization; summaries; headless PNG/SVG plots; a CLI; and a typed Python API.
+
+CPDataKit HDF5 records schema/profile, units, field mapping, source basename and SHA-256, UTC time,
+software versions, operation log, and validation summary. All bundled datasets are reproducible,
+fixed-seed synthetic examples.
+
+This release does **not** read ODB or DAMASK DADF5, run a solver or UMAT, infer scientific
+conventions, certify physical correctness, or provide 3D/GUI/distributed processing. CPDataKit is
+not affiliated with DAMASK, Abaqus, or Dassault Systèmes.
+
+Verification before publication: run the GitHub Actions Windows/Ubuntu Python 3.10-3.13 matrix,
+Ruff, package build, and wheel smoke test. Locally, v0.1.0 passed 35 tests on Windows/Python 3.12,
+fresh editable installation, wheel-only installation, and all README core commands.

cpdatakit-0.1.1/.github/release-notes/v0.1.1.md

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+# CPDataKit v0.1.1 - Secure distribution and a five-minute path to value
+
+This maintenance release prepares CPDataKit for secure, low-friction distribution without changing
+its solver-neutral data contract or public Python API. It adds a deterministic five-minute
+quickstart, clearer installation guidance, complete package links, and a scientifically scoped
+social preview.
+
+Validation now fails closed for malformed custom schemas and incompatible boolean or numeric
+values. Per-record numeric arrays enforce integer and range constraints; duplicate detection safely
+handles nested arrays and mappings; affine unit conversions preserve both scale and offset; and
+malformed CPDataKit HDF5 tables and unsupported histogram fields return concise domain errors.
+
+The PyPI workflow builds only from an existing semantic-version tag, verifies that the tag,
+`pyproject.toml`, runtime version, citation metadata, changelog, and release notes agree, checks both
+distributions with Twine, and publishes through short-lived OIDC credentials after an explicit
+GitHub environment approval. No long-lived PyPI token is stored in the repository.
+
+CPDataKit validates explicit schemas, units, provenance, and data-quality constraints. It does not
+certify physical correctness, read ODB or DAMASK DADF5, run a solver or UMAT, or infer scientific
+conventions. All bundled examples remain fixed-seed synthetic data.
+
+Before publishing, the full Windows/Ubuntu Python 3.10-3.13 matrix passed alongside 51 local tests,
+Ruff, package build, Twine checks, a clean wheel installation, and the quickstart smoke test.

cpdatakit-0.1.1/.github/workflows/ci.yml

@@ -0,0 +1,54 @@
+name: CI
+
+on:
+  push:
+  pull_request:
+
+permissions:
+  contents: read
+
+jobs:
+  test:
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, windows-latest]
+        python-version: ["3.10", "3.11", "3.12", "3.13"]
+    runs-on: ${{ matrix.os }}
+    steps:
+      - uses: actions/checkout@d23441a48e516b6c34aea4fa41551a30e30af803 # v6.1.0
+      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1 # v6.3.0
+        with:
+          python-version: ${{ matrix.python-version }}
+          cache: pip
+      - run: python -m pip install -e ".[dev]"
+      - run: pytest
+
+  quality-and-build:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@d23441a48e516b6c34aea4fa41551a30e30af803 # v6.1.0
+      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1 # v6.3.0
+        with:
+          python-version: "3.12"
+          cache: pip
+      - run: python -m pip install -e ".[dev]"
+      - run: ruff check .
+      - run: ruff format --check .
+      - run: python scripts/check_release.py v0.1.1
+      - run: python -m build
+      - run: python scripts/check_release.py v0.1.1 --dist-dir dist
+      - run: python -m twine check dist/*
+      - name: Install wheel and smoke test
+        shell: bash
+        run: |
+          python -m venv wheel-env
+          wheel-env/bin/python -m pip install dist/*.whl
+          wheel-env/bin/cpdatakit --version
+          wheel-env/bin/python -c "import cpdatakit; print(cpdatakit.__version__)"
+          wheel-env/bin/python -c "from cpdatakit.samples import generate_sample_data; generate_sample_data('quickstart-smoke')"
+          wheel-env/bin/cpdatakit validate quickstart-smoke/synthetic_curve.csv --schema curve --json-output validation.json
+          wheel-env/bin/cpdatakit summary quickstart-smoke/synthetic_curve.csv --schema curve --json-output summary.json
+          wheel-env/bin/cpdatakit convert quickstart-smoke/synthetic_curve.csv --schema curve --output curve.h5 --source-description "Fixed-seed CI quickstart"
+          wheel-env/bin/cpdatakit plot curve.h5 --schema curve --kind stress-strain --output stress-strain.png
+

cpdatakit-0.1.1/.github/workflows/publish-pypi.yml

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+name: Publish to PyPI
+
+on:
+  workflow_dispatch:
+    inputs:
+      tag:
+        description: Existing Git tag to publish
+        required: true
+        default: v0.1.1
+
+permissions:
+  contents: read
+
+jobs:
+  build:
+    name: Build distributions
+    if: github.ref == 'refs/heads/main'
+    runs-on: ubuntu-latest
+    env:
+      RELEASE_TAG: ${{ inputs.tag }}
+    steps:
+      - uses: actions/checkout@d23441a48e516b6c34aea4fa41551a30e30af803 # v6.1.0
+        with:
+          fetch-depth: 0
+          persist-credentials: false
+      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1 # v6.3.0
+        with:
+          python-version: "3.12"
+          cache: pip
+      - name: Verify trusted dispatch and synchronized release metadata
+        shell: bash
+        run: |
+          if [[ "${GITHUB_REF}" != "refs/heads/main" ]]; then
+            echo "This workflow must be dispatched from main, got: ${GITHUB_REF}" >&2
+            exit 1
+          fi
+          if [[ ! "${RELEASE_TAG}" =~ ^v(0|[1-9][0-9]*)\.(0|[1-9][0-9]*)\.(0|[1-9][0-9]*)$ ]]; then
+            echo "Release ref must be a semantic-version tag, got: ${RELEASE_TAG}" >&2
+            exit 1
+          fi
+          if ! git show-ref --verify --quiet "refs/tags/${RELEASE_TAG}"; then
+            echo "Tag does not exist: ${RELEASE_TAG}" >&2
+            exit 1
+          fi
+          git fetch --no-tags origin main
+          if ! git merge-base --is-ancestor "refs/tags/${RELEASE_TAG}^{commit}" origin/main; then
+            echo "Tag is not on the main branch: ${RELEASE_TAG}" >&2
+            exit 1
+          fi
+          git checkout --detach "refs/tags/${RELEASE_TAG}"
+          python scripts/check_release.py "${RELEASE_TAG}"
+      - name: Build and inspect distributions
+        run: |
+          python -m pip install --upgrade build twine
+          python -m build
+          python scripts/check_release.py "${RELEASE_TAG}" --dist-dir dist
+          python -m twine check dist/*
+      - name: Install wheel and run the five-minute quickstart
+        shell: bash
+        run: |
+          python -m venv wheel-env
+          wheel-env/bin/python -m pip install dist/*.whl
+          wheel-env/bin/python -c "from cpdatakit.samples import generate_sample_data; generate_sample_data('quickstart-smoke')"
+          wheel-env/bin/cpdatakit validate quickstart-smoke/synthetic_curve.csv --schema curve --json-output validation.json
+          wheel-env/bin/cpdatakit summary quickstart-smoke/synthetic_curve.csv --schema curve --json-output summary.json
+          wheel-env/bin/cpdatakit convert quickstart-smoke/synthetic_curve.csv --schema curve --output curve.h5 --source-description "Fixed-seed release quickstart"
+          wheel-env/bin/cpdatakit plot curve.h5 --schema curve --kind stress-strain --output stress-strain.png
+      - uses: actions/upload-artifact@330a01c490aca151604b8cf639adc76d48f6c5d4 # v5.0.0
+        with:
+          name: python-package-distributions
+          path: dist/
+          if-no-files-found: error
+
+  publish:
+    name: Publish distributions to PyPI
+    needs: build
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/cpdatakit
+    permissions:
+      id-token: write
+    steps:
+      - uses: actions/download-artifact@018cc2cf5baa6db3ef3c5f8a56943fffe632ef53 # v6.0.0
+        with:
+          name: python-package-distributions
+          path: dist/
+      - uses: pypa/gh-action-pypi-publish@dc37677b2e1c63e2034f94d8a5b11f265b73ba33 # release/v1

cpdatakit-0.1.1/.gitignore

@@ -0,0 +1,17 @@
+.venv/
+__pycache__/
+*.py[cod]
+*.egg-info/
+.pytest_cache/
+.ruff_cache/
+.coverage
+htmlcov/
+build/
+dist/
+*.png
+*.svg
+*.h5
+*.hdf5
+!sample_data/*.json
+!sample_data/*.csv
+

cpdatakit-0.1.1/.pre-commit-config.yaml

@@ -0,0 +1,8 @@
+repos:
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.16.2
+    hooks:
+      - id: ruff-check
+        args: [--fix]
+      - id: ruff-format
+

cpdatakit-0.1.1/CHANGELOG.md

@@ -0,0 +1,38 @@
+# Changelog
+
+All notable changes follow Keep a Changelog; versions follow Semantic Versioning.
+
+## [Unreleased]
+
+## [0.1.1] - 2026-08-17
+
+### Fixed
+
+- Enforce custom-schema dtype, shape, bounds, alias, and option declarations at load time.
+- Validate boolean and shaped numeric fields without accepting unrelated coercible values.
+- Handle nested custom values safely during duplicate-record detection.
+- Apply affine unit conversions with both scale and offset.
+- Reject malformed CPDataKit HDF5 tables with consistent `DataReadError` failures.
+- Reject shaped or non-numeric histogram fields with a concise domain error.
+
+### Added
+
+- PyPI Trusted Publishing workflow with tagged, inspected distributions and OIDC authentication.
+- Five-minute synthetic-data quickstart and a scientifically scoped repository social-preview asset.
+- Release metadata and semantic-version tag consistency checks.
+
+### Changed
+
+- The README now offers a one-command GitHub Release installation for non-contributors.
+- Repository-relative README links are absolute so they work correctly on PyPI.
+- Publishing documentation and workflow now target the complete v0.1.1 distribution.
+
+## [0.1.0] - 2026-08-12
+
+### Added
+
+- Versioned `curve`, `point`, and `field2d` schemas.
+- CSV, JSON records, and CPDataKit HDF5 I/O with provenance.
+- Structured validation, explicit normalization, descriptive summaries, plotting, CLI, and API.
+- Deterministic synthetic datasets, tests, documentation, and cross-platform CI.
+

cpdatakit-0.1.1/CITATION.cff

@@ -0,0 +1,14 @@
+cff-version: 1.2.0
+message: "If you use CPDataKit, please cite this software."
+title: "CPDataKit: Crystal Plasticity Data Quality Toolkit"
+type: software
+version: 0.1.1
+date-released: 2026-08-17
+authors:
+  - name: "CPDataKit contributors"
+license: Apache-2.0
+repository-code: "https://github.com/17636365690/cpdatakit"
+keywords:
+  - crystal plasticity
+  - materials data
+  - data validation

cpdatakit-0.1.1/CODE_OF_CONDUCT.md

@@ -0,0 +1,12 @@
+# Code of Conduct
+
+We pledge to make participation respectful and harassment-free regardless of age, body size,
+disability, ethnicity, sex characteristics, gender identity and expression, experience, education,
+socioeconomic status, nationality, appearance, race, religion, or sexual identity and orientation.
+
+Be constructive, accept responsibility, focus on what is best for the community, and respect
+different viewpoints. Harassment, insulting comments, threats, doxxing, and unwanted sexual
+attention are unacceptable. Maintainers may remove contributions or participation that violate
+these standards. Report conduct concerns privately through GitHub private vulnerability reporting
+or to the repository owner. Maintainers will handle reports confidentially and fairly. This policy
+is adapted in spirit from Contributor Covenant 2.1.

cpdatakit-0.1.1/CONTRIBUTING.md

@@ -0,0 +1,10 @@
+# Contributing
+
+Open an issue before large schema or adapter changes. Fork the project, create a focused branch,
+add tests and documentation, then run `pytest`, `ruff check .`, `ruff format --check .`, and
+`python -m build`. Contributions are submitted under Apache-2.0.
+
+Use only synthetic, openly licensed, or redistribution-approved fixtures. Never commit ODB files,
+real confidential research data, secrets, personal paths, or commercial installation details.
+Scientific conventions must be explicit; do not add automatic guesses for units or measures.
+

cpdatakit-0.1.1/LICENSE

@@ -0,0 +1,193 @@
+                                 Apache License
+                           Version 2.0, January 2004
+                        http://www.apache.org/licenses/
+
+   TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION
+
+   1. Definitions.
+
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+      and distribution as defined by Sections 1 through 9 of this document.
+
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+
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+      direction or management of such entity, whether by contract or
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+      outstanding shares, or (iii) beneficial ownership of such entity.
+
+      "You" (or "Your") shall mean an individual or Legal Entity
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+      License. However, in accepting such obligations, You may act only
+      on Your own behalf and on Your sole responsibility, not on behalf
+      of any other Contributor, and only if You agree to indemnify,
+      defend, and hold each Contributor harmless for any liability
+      incurred by, or claims asserted against, such Contributor by reason
+      of your accepting any such warranty or additional liability.
+
+   END OF TERMS AND CONDITIONS
+
+   APPENDIX: How to apply the Apache License to your work.
+
+      Copyright 2026 CPDataKit contributors
+
+      Licensed under the Apache License, Version 2.0 (the "License");
+      you may not use this file except in compliance with the License.
+      You may obtain a copy of the License at
+
+         http://www.apache.org/licenses/LICENSE-2.0
+
+      Unless required by applicable law or agreed to in writing, software
+      distributed under the License is distributed on an "AS IS" BASIS,
+      WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+      See the License for the specific language governing permissions and
+      limitations under the License.
+

cpdatakit-0.1.1/MAINTAINERS.md

@@ -0,0 +1,5 @@
+# Maintainers
+
+GitHub user [@17636365690](https://github.com/17636365690) is the initial release manager.
+Maintainers review schema compatibility, provenance, tests, dependency licenses, security reports,
+and releases. Two reviewers are recommended for future schema-version changes.

cpdatakit-0.1.1/NOTICE

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+CPDataKit
+Copyright 2026 CPDataKit contributors
+
+Direct runtime dependencies reviewed for v0.1.x:
+- NumPy: BSD-3-Clause core; packaged metadata also identifies licenses for vendored components.
+- pandas: BSD-3-Clause.
+- h5py: BSD-3-Clause.
+- Matplotlib: PSF-based Matplotlib license (BSD-compatible).
+- Pint: BSD-3-Clause.
+
+These are permissive licenses with no evident incompatibility with Apache-2.0 for this project's
+ordinary dependency use. Dependencies are not copied into this source distribution. This notice
+is informational, is not legal advice, and must be refreshed against the versions shipped by each
+release. See each installed distribution and upstream repository for complete license texts.
+
+DAMASK, Abaqus, and Dassault Systèmes names may be trademarks of their respective owners. Their
+software and data are not distributed with CPDataKit, and they are not core dependencies.
+