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New release v32 (#144)
* Add despatch workflow to publish to pypi * Add release scripts and CI files * Fix typo in publish_pypi.yml
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‎.github/workflows/build_pyspinw.yml‎

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name: pySpinW
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on: [push, workflow_dispatch]
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on:
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push:
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branches: [master]
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pull_request:
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branches: [master, development]
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types: [opened, reopened, synchronize]
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workflow_dispatch:
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jobs:
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compile_mex:
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echo "PYSPINW_VERSION=$( cat pyproject.toml | grep "version = \"" | awk -F'"' '$0=$2' | sed 's/ //g' )" >> $GITHUB_ENV
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mkdir pyspinw/ctfs
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mv ctf/*.ctf pyspinw/ctfs
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- name: Update Versions
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if: startsWith(github.ref, 'refs/tags/v')
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run: |
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pip install poetry
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cd ${{ github.workspace }}/python
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poetry version $(git describe --tags --abbrev=0)
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- name: Build Wheel
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run: |
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cd ${{ github.workspace }}/python
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with:
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name: pySpinW Wheel
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path: ${{ github.workspace }}/python/build/*.whl
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- uses: ncipollo/release-action@v1
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if: startsWith(github.ref, 'refs/tags/v')
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with:
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artifacts: ${{ github.workspace }}/python/build/*.whl
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prerelease: true
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replacesArtifacts: true
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name: "pySpinW"
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bodyFile: ${{ github.workspace }}/python/release_notes.md
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- name: Upload release wheels
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if: ${{ github.event_name == 'release' }}
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run: |
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pip3 install requests
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python3 release.py --notest --github --token=${{ secrets.GH_TOKEN }}

‎.github/workflows/publish_pypi.yml‎

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name: Publish to PyPI
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on: workflow_dispatch
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jobs:
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pypi-publish:
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name: upload release to PyPI
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runs-on: ubuntu-latest
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permissions:
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# IMPORTANT: this permission is mandatory for trusted publishing
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id-token: write
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steps:
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- uses: actions/checkout@v3
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with:
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fetch-depth: 0
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- name: Download wheels
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run: |
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python3 -m pip install twine requests
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python3 release.py --pypi --token=${{ secrets.GH_TOKEN }}
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- name: Publish package distributions to PyPI
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uses: pypa/gh-action-pypi-publish@release/v1
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with:
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packages-dir: twine_wheelhouse
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verbose: true

‎.github/workflows/release.yml‎

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name: Release SpinW
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on:
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pull_request:
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branches: [master]
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types: [closed]
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jobs:
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create_release:
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name: Creates a SpinW release
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v3
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with:
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fetch-depth: 0
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- if: |
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contains(github.event.pull_request.title, 'RELEASE') &&
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github.event.pull_request.merged
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shell: bash -l {0}
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run: |
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pip3 install requests
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python3 release.py --notest --github --create_tag --token=${{ secrets.GH_TOKEN }}

‎.gitignore‎

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python/ctf
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.idea/
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**/*.pyc
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python/ctf
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.idea/
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**/*.pyc
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python/build/
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python/pyspinw/ctfs/
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includedSupportPackages.txt
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mccExcludedFiles.log
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requiredMCRProducts.txt
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unresolvedSymbols.txt

‎CHANGELOG.md‎

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# [v3.2.0](https://github.com/pace-neutrons/libpymcr/compare/0.0.1...v3.2.0)
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## Initial public beta of PySpinW
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This is an initial public beta version of PySpinW released on PyPI.
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Please install using:
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```bash
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pip install spinw
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```
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This will install a module called `pyspinw` (note the `py` at the start).
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You can then run SpinW with:
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```python
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import numpy as np
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import matplotlib.pyplot as plt
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from pyspinw import Matlab
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m = Matlab()
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swobj = m.spinw()
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swobj.genlattice('lat_const', [3, 3, 6], 'angled', [90, 90, 120], 'sym', 'P 1');
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swobj.addatom('r', [0, 0, 0], 'S', 1/2, 'label', 'MCu2')
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swobj.gencoupling('maxDistance', 5)
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swobj.addmatrix('label', 'J1', 'value', 1.00, 'color', 'g')
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swobj.addcoupling('mat', 'J1', 'bond', 1)
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swobj.genmagstr('mode', 'helical', 'k', [-1/3, -1/3, 0], 'n',[0, 0, 1], 'unit', 'lu', 'S', [[1], [0], [0]])
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spec = swobj.spinwave([[-1/2, 0, 0], [0, 0, 0], [1/2, 1/2, 0], 100], 'hermit', False)
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spec = m.sw_egrid(spec, 'component', 'Sxx+Syy', 'imagChk', False, 'Evect', np.linspace(0, 3, 100))
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ax = plt.imshow(np.real(np.flipud(spec['swConv'])), aspect='auto', vmax=1)
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plt.show()
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```
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On Windows and Linux systems, as long as you're running PySpinW locally, Matlab plotting commands like `m.plot(swobj)` will work. This is not the case on MacOS (a known bug) and on remote systems (e.g. via JupyterHub).
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# [v0.0.1](https://github.com/spinw/spinw/compare/v3.1.2...0.0.1)
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## pySpinW
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This is an initial release of pySpinW as a `pip` installable wheel for python >= 3.8 and MATLAB >= R2021a
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### Installation
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Please install with
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```bash
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pip install pyspinw*.whl
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```
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This package can now be used in python if you have a version of MATLAB or MCR available on the machine.
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The package will try to automatically detect your installation, however if it is in a non-standard location, the path and version will have to be specified.
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```python
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from pyspinw import Matlab
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m = Matlab(matlab_version='R2023a', matlab_path='/usr/local/MATLAB/R2023a/')
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```
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### Example
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An example would be:
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```python
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import numpy as np
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from pyspinw import Matlab
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m = Matlab()
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# Create a spinw model, in this case a triangular antiferromagnet
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s = m.sw_model('triAF', 1)
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# Specify the start and end points of the q grid and the number of points
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q_start = [0, 0, 0]
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q_end = [1, 1, 0]
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pts = 501
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# Calculate the spin wave spectrum
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spec = m.spinwave(s, [q_start, q_end, pts])
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```
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### Known limitations
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At the moment graphics will not work on macOS systems and is disabled.

‎CITATION.cff‎

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cff-version: "1.1.0"
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message: "If you have used SpinW in your research, please cite it as below"
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abstract: "SpinW is a library for spin wave calculations"
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authors:
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- family-names: "Tóth"
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given-names: "Sándor"
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orcid: "https://orcid.org/0000-0002-7174-9399"
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- family-names: "Ward"
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given-names: "Simon"
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orcid: "https://orcid.org/0000-0001-7127-5763"
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- family-names: "Le"
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given-names: "Manh Duc"
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orcid: "https://orcid.org/0000-0003-3012-6053"
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- family-names: "Fair"
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given-names: "Rebecca L."
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orcid: "https://orcid.org/0000-0002-0926-2942"
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- family-names: "Waite"
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given-names: "Richard"
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title: "libpymcr"
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version: "3.2.0"
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date-released: "2023-06-12"
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license: "GPL-3.0-only"
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repository: "https://github.com/spinw/spinw"
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url: "https://www.spinw.org"
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keywords:
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- "Python"
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- "Matlab"
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python/release_notes.md renamed to python/README.md

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‎python/pyproject.toml‎

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[build-system]
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requires = ["poetry-core"]
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build-backend = "poetry.core.masonry.api"
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requires = [
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"poetry-core",
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"poetry-dynamic-versioning",
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]
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build-backend = "poetry_dynamic_versioning.backend"
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[tool.black]
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line-length = 88
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organization = 'spinw'
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repo = 'spinw'
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[tool.poetry-dynamic-versioning]
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enable = true
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vcs = "git"
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style = "semver"
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[tool.poetry]
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name = "pyspinw"
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version = "0.0.2"
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name = "spinw"
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version = "0.0.0"
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description = "Python library for spin wave calculations"
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license = "BSD-3-Clause"
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authors = ["Duc Le", "Simon Ward", "Richard Waite"]
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readme = "../README.md"
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authors = ["Sándor Tóth", "Duc Le", "Simon Ward", "Becky Fair", "Richard Waite"]
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readme = "README.md"
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homepage = "https://spinw.org"
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classifiers = [
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"Development Status :: 3 - Alpha",
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"Programming Language :: Python :: 3 :: Only",
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]
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packages = [ { include = "pyspinw" } ]
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include = [ { path = "pyspinw/ctfs/*" } ]
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[tool.poetry.dependencies]
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python = ">=3.8,<=3.12"

‎python/pyspinw/__init__.py‎

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from __future__ import annotations
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__author__ = "github.com/wardsimon"
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__version__ = "0.1.0"
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__version__ = "0.0.0"
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import os
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import libpymcr

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