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* add data * update analysis * update analysis * clean * prepare release 0.0.1
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name: PyPI publish | ||
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on: | ||
release: | ||
types: [published] | ||
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permissions: | ||
contents: read | ||
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jobs: | ||
build: | ||
name: Build package | ||
runs-on: ubuntu-latest | ||
steps: | ||
- name: Checkout | ||
uses: actions/checkout@v3 | ||
- name: Set up Python | ||
uses: actions/setup-python@v3 | ||
with: | ||
python-version: '3.x' | ||
- name: Install dependencies | ||
run: | | ||
python -m pip install --upgrade pip | ||
pip install build | ||
- name: Build package | ||
run: python -m build | ||
- name: Upload artifact | ||
uses: actions/upload-artifact@v4 | ||
with: | ||
name: package | ||
path: dist/ | ||
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publish: | ||
name: Upload release to PyPI | ||
needs: build | ||
runs-on: ubuntu-latest | ||
environment: | ||
name: pypi | ||
url: https://pypi.org/p/syntemp | ||
permissions: | ||
id-token: write # IMPORTANT: this permission is mandatory for trusted publishing | ||
steps: | ||
- name: Download artifact | ||
uses: actions/download-artifact@v4 | ||
with: | ||
name: package | ||
path: dist/ | ||
- name: Publish package to PyPI | ||
uses: pypa/gh-action-pypi-publish@release/v1 |
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[build-system] | ||
requires = ["hatchling"] | ||
build-backend = "hatchling.build" | ||
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[project] | ||
name = "synutils" | ||
version = "0.0.1" | ||
authors = [ | ||
{name="Tieu Long Phan", email="[email protected]"} | ||
] | ||
description = "Graph-based reaction templates extraction" | ||
readme = "README.md" | ||
requires-python = ">=3.11" | ||
classifiers = [ | ||
"Programming Language :: Python :: 3", | ||
"License :: OSI Approved :: MIT License", | ||
"Operating System :: OS Independent", | ||
] | ||
dependencies = [ | ||
"scikit-learn==1.5.1", | ||
"xgboost==2.1.1", | ||
"pandas>=1.5.3", | ||
"rdkit>=2024.3.3", | ||
"networkx==3.3", | ||
"seaborn==0.13.2", | ||
"drfp==0.3.6", | ||
] | ||
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[project.urls] | ||
homepage = "https://github.com/TieuLongPhan/SynUtils" | ||
source = "https://github.com/TieuLongPhan/SynUtils" | ||
issues = "https://github.com/TieuLongPhan/SynUtils/issues" |