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fix ci, bump up python to 3.10+
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IAlibay committed Jul 22, 2024
1 parent 7c5ae8d commit f6f615c
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38 changes: 11 additions & 27 deletions .github/workflows/gh-ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -23,31 +23,18 @@ defaults:
shell: bash -l {0}

jobs:
environment-config:
runs-on: ubuntu-latest
outputs:
stable-python-version: ${{ steps.get-python-version.outputs.python-version }}
steps:
- uses: actions/checkout@v4

- id: get-python-version
uses: MDAnalysis/get-latest-python-version@main
with:
last-n-minor-release: 1

main-tests:
if: "github.repository == 'MDAnalysis/mdahole2'"
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
# os: [macOS-latest, ubuntu-latest, windows-latest]
os: [ubuntu-latest, macOS-latest]
python-version: ["3.9", "3.10", "3.11", "3.12"]
os: [ubuntu-latest, macos-latest, macos-13]
python-version: ["3.10", "3.11", "3.12"]
mdanalysis-version: ["latest", "develop"]

steps:
- uses: actions/checkout@v3
- uses: actions/checkout@v4

- name: Build information
run: |
Expand All @@ -58,12 +45,11 @@ jobs:
# More info on options: https://github.com/conda-incubator/setup-miniconda
- name: Install conda dependencies
uses: conda-incubator/setup-miniconda@v2
uses: conda-incubator/setup-miniconda@v3
with:
python-version: ${{ matrix.python-version }}
environment-file: devtools/conda-envs/test_env.yaml
add-pip-as-python-dependency: true
architecture: x64

miniforge-variant: Mambaforge
use-mamba: true
Expand Down Expand Up @@ -101,10 +87,10 @@ jobs:
env:
DUECREDIT_ENABLE: 'yes'
run: |
pytest -n 2 -v --cov=mdahole2 --cov-report=xml --color=yes mdahole2/tests/
pytest -n auto -v --cov=mdahole2 --cov-report=xml --color=yes mdahole2/tests/
- name: codecov
uses: codecov/codecov-action@v3
uses: codecov/codecov-action@v4
with:
token: ${{ secrets.CODECOV_TOKEN }}
file: coverage.xml
Expand All @@ -114,16 +100,15 @@ jobs:

pylint_check:
if: "github.repository == 'MDAnalysis/mdahole2'"
needs: environment-config
runs-on: ubuntu-latest

steps:
- uses: actions/checkout@v4

- name: Set up Python
uses: actions/setup-python@v4
uses: actions/setup-python@v5
with:
python-version: ${{ needs.environment-config.outputs.stable-python-version }}
python-version: "3.11"

- name: Install Pylint
run: |
Expand All @@ -140,16 +125,15 @@ jobs:
pypi_check:
if: "github.repository == 'MDAnalysis/mdahole2'"
needs: environment-config
runs-on: ubuntu-latest

steps:
- uses: actions/checkout@v4

- name: Set up Python ${{ needs.environment-config.outputs.stable-python-version }}
uses: actions/setup-python@v4
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: ${{ needs.environment-config.outputs.stable-python-version }}
python-version: "3.11"

- name: Install dependencies
run: |
Expand Down
8 changes: 8 additions & 0 deletions CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,14 @@ The rules for this file:
* accompany each entry with github issue/PR number (Issue #xyz)
-->

## Unreleased

### Authors
- IAlibay

## Changed
- Python 3.9 has now been dropped as per SPEC0

## [0.4.0] -- 2024-01-30

### Authors
Expand Down
3 changes: 0 additions & 3 deletions build.sh

This file was deleted.

20 changes: 0 additions & 20 deletions meta.yaml

This file was deleted.

5 changes: 2 additions & 3 deletions pyproject.toml
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Expand Up @@ -22,17 +22,16 @@ classifiers = [
"License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)",
"Programming Language :: C",
"Programming Language :: Python",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering",
"Topic :: Software Development :: Libraries :: Python Modules",
]
readme = "README.md"
requires-python = ">=3.9"
requires-python = ">=3.10"
dependencies = [
"MDAnalysis>=2.0.0",
"MDAnalysis>=2.1.0",
]
keywords = [
"molecular simulations",
Expand Down

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