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fix mkdocs warnings (#304)
This PR contains several minor miscellaneous changes. The mkdocs warnings are: ``` WARNING - mkdocs_autorefs: Multiple primary URLs found for 'gnps-data': ['quickstart/#gnps-data', 'concepts/gnps_data/#gnps-data']. Make sure to use unique headings, identifiers, or Markdown anchors (see our docs). WARNING - mkdocs_autorefs: concepts/bigscape.md: Could not find cross-reference target 'default-configurations' ```
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.github/workflows/build.yml

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python3 --version
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- name: Upgrade pip and install dependencies
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run: |
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python3 -m pip install --upgrade pip setuptools
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pip install build pytest wheel pytest-xdist
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- name: Build the package
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run: python -m build
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python3 --version
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- name: Upgrade pip and install dependencies
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run: |
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python3 -m pip install --upgrade pip setuptools
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pip install build pytest wheel pytest-xdist
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- name: Build the package
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run: python -m build

Makefile

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@echo "update - update pip, build, twine packages"
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@echo "update-version - update NPLinker version. Usage: make update-version CURRENT_VERSION=0.1.0 NEW_VERSION=0.2.0"
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clean: clean-build clean-pyc clean-test
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clean: clean-build clean-pyc clean-test clean-doc
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clean-build:
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rm -fr build/
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rm -f .coverage*
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rm -f coverage.xml
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clean-doc:
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rm -rf site
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build: clean
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python -m build
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ls -l dist

docs/concepts/bigscape.md

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NPLinker can run BigScape automatically if the `bigscape` directory does not exist in the working directory.
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Both version 1 and version 2 of BigScape are supported.
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See the [configuration template][configuration-template] for how to set parameters for running BigScape.
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See the [default configurations][default-configurations] for the default parameters used in NPLinker.
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See the [configuration template][configuration-template] for how to set parameters for running BigScape.

docs/concepts/gnps_data.md

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# GNPS data
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# GNPS
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NPLinker requires GNPS molecular networking data as input. It currently accepts data from both GNPS1
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(https://gnps.ucsd.edu) and GNPS2 (https://gnps2.org) workflows.

src/nplinker/metabolomics/gnps/gnps_downloader.py

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ValueError: If the given GNPS version is not valid.
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Examples:
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>>> GNPSDownloader("c22f44b14a3d450eb836d607cb9521bb", "~/downloads")
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Download GNPS1 job
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>>> GNPSDownloader("c22f44b14a3d450eb836d607cb9521bb", "~/downloads", "1")
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Download GNPS2 job
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>>> GNPSDownloader("2014f321d72542afb5216c932e0d5079", "~/downloads", "2")
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"""
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if gnps_version == "1":
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gnps_format = gnps_format_from_gnps1_task_id(task_id)

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