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Bump version of CoreMS
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.bumpversion.cfg

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[bumpversion]
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current_version = 3.3.1
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current_version = 3.3.2
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commit = False
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tag = False
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.bumpversion_lcmsmetab.cfg

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[bumpversion]
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current_version = 1.1.1
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current_version = 1.1.2
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commit = False
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tag = False
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.bumpversion_lipid.cfg

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[bumpversion]
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current_version = 1.3.1
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current_version = 1.3.2
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commit = False
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tag = False
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Dockerfile

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COPY README.md disclaimer.txt Makefile requirements.txt setup.py /metams/
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# Install the correct version of CoreMS from github
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RUN pip install git+https://github.com/EMSL-Computing/[email protected].1
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RUN pip install git+https://github.com/EMSL-Computing/[email protected].2
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# Install the MetaMS package in editable mode
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RUN pip3 install --editable .

MAINTAINERS.md

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The following steps should be followed in order
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### Bump Version Numbers
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The versioning of the repo, docker image and the GC/MS workflow are currently 3.3.1.
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The version of the lipid workflow is currently 1.3.1.
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The version of the LCMS metabolomics workflow is currently 1.1.1.
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The versioning of the repo, docker image and the GC/MS workflow are currently 3.3.2.
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The version of the lipid workflow is currently 1.3.2.
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The version of the LCMS metabolomics workflow is currently 1.1.2.
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To bump the repo *and all workflows*, run one of the following commands. This will update the runtime version of all of the workflows, the version of the repo and the version of the docker image.
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README.md

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## Current Version
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### `3.3.1`
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### `3.3.2`
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## Available Workflows
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docs/gcms_metabolomics/README_GCMS.md

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## Current Version
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### `3.3.1`
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### `3.3.2`
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### Data input formats
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docs/gcms_metabolomics/index.rst

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Version History
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---------------
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- Current version is 3.3.1
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- Current version is 3.3.2
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Point of contact
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----------------

docs/lcms_lipidomics/README_LCMS_LIPID.md

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: <https://github.com/microbiomedata/metaMS/blob/master/docs/index_lipid.rst>
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# Lipidomics Workflow (v1.3.1)
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# Lipidomics Workflow (v1.3.2)
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![](lipid_workflow_v1.svg)
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## Version History
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- v1.3.1: Current release
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- v1.3.2: Current release
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- v1.0.0: Initial release of the lipidomics workflow Jan 9, 2025
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## Point of contact

docs/lcms_lipidomics/index.html

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href="https://github.com/microbiomedata/metaMS/blob/master/docs/index_lipid.rst">https://github.com/microbiomedata/metaMS/blob/master/docs/index_lipid.rst</a></p>
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</dd>
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</dl>
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<h1 id="lipidomics-workflow-v1.3.1">Lipidomics Workflow (v1.3.1)</h1>
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<h1 id="lipidomics-workflow-v1.3.2">Lipidomics Workflow (v1.3.2)</h1>
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<figure>
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<img src="lipid_workflow_v1.svg" alt="lipid_workflow_v1.svg" />
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</figure>
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</ul>
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<h2 id="version-history">Version History</h2>
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<ul>
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<li>v1.3.1: Current release</li>
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<li>v1.3.2: Current release</li>
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<li>v1.0.0: Initial release of the lipidomics workflow Jan 9, 2025</li>
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</ul>
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<h2 id="point-of-contact">Point of contact</h2>

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