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Update max/min python versions #26

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merged 7 commits into from
Oct 3, 2024
Merged

Update max/min python versions #26

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9abbf80
update `ci.yml`
rvhonorato Oct 3, 2024
7e5a1b2
typo
rvhonorato Oct 3, 2024
8ae79c0
update `pyproject.toml`
rvhonorato Oct 3, 2024
a86aa03
update base python version
rvhonorato Oct 3, 2024
1bceaab
update python version of `pypi-publish.yml`
rvhonorato Oct 3, 2024
b095166
bump version
rvhonorato Oct 3, 2024
407c98e
typo
rvhonorato Oct 3, 2024
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14 changes: 9 additions & 5 deletions .github/workflows/ci.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -5,15 +5,18 @@ on: push
jobs:
test:
runs-on: ubuntu-latest

strategy:
matrix:
python-version: ["3.9", "3.10", "3.11", "3.12"]
fail-fast: false
steps:
- uses: actions/checkout@v3
- uses: actions/checkout@v4
with:
submodules: recursive

- uses: actions/setup-python@v4
- uses: actions/setup-python@v5
with:
python-version: "3.11"
python-version: ${{ matrix.python-version }}

- uses: snok/install-poetry@v1
with:
Expand All @@ -29,4 +32,5 @@ jobs:
uses: codacy/codacy-coverage-reporter-action@v1
with:
project-token: ${{ secrets.CODACY_PROJECT_TOKEN }}
coverage-reports: coverage.xml
coverage-reports: coverage.xml

4 changes: 2 additions & 2 deletions .github/workflows/pypi-publish.yml
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Expand Up @@ -11,9 +11,9 @@ jobs:
steps:
- uses: actions/checkout@v4

- uses: actions/setup-python@v4
- uses: actions/setup-python@v5
with:
python-version: "3.11"
python-version: "3.12"

- uses: snok/install-poetry@v1
with:
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2 changes: 1 addition & 1 deletion Dockerfile
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@@ -1,5 +1,5 @@
#==============================================================================================
FROM python:3.11
FROM python:3.12
WORKDIR /opt/software
COPY . .
RUN pip install .
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7 changes: 5 additions & 2 deletions pyproject.toml
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@@ -1,21 +1,24 @@
[tool.poetry]
name = "prodigy-lig"
version = "1.1.1"
version = "1.1.2"
description = "Calculate protein-small molecule binding affinities."
authors = ["BonvinLab <[email protected]>"]
license = "Apache-2.0"
readme = "README.md"
classifiers = [
"Development Status :: 5 - Production/Stable",
"License :: OSI Approved :: Apache Software License",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Intended Audience :: Science/Research",
]

[tool.poetry.dependencies]
python = "^3.11"
python = "^3.9"
numpy = "^1.26.4"
biopython = "^1.79"

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