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Merged
IAlibay merged 1 commit into from
May 31, 2026
+20 −20
Merged

Update for latest release of MDAnalysis #4

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40 changes: 20 additions & 20 deletions .github/workflows/gh-ci.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -21,11 +21,11 @@ jobs:
os: [ubuntu-latest, macOS-latest, windows-latest]

steps:
- uses: actions/checkout@v3
- uses: actions/checkout@v6

- uses: actions/setup-python@v4
- uses: actions/setup-python@v6
with:
python-version: "3.11"
python-version: "3.13"

- name: default
id: default-matrix
Expand All @@ -35,14 +35,14 @@ jobs:
id: exclude-latest
uses: ./
with:
exclude: '["3.13"]'
exclude: '["3.14"]'

- name: exclude 2 include 1
id: exclude-2-include-1
uses: ./
with:
exclude: '["3.11", "3.9"]'
include: '["3.14"]'
exclude: '["3.11", "3.12"]'
include: '["3.10"]'

- name: release 2.4.3
id: release-243
Expand All @@ -60,17 +60,17 @@ jobs:
shell: bash
run: |
echo "test 1"
python utils/assert_varray.py --input ${{ toJSON(steps.default-matrix.outputs.python-versions) }} --target '["3.10", "3.11", "3.12", "3.13"]'
[[ "${{ steps.default-matrix.outputs.latest-python }}" == "3.13" ]] || exit 1
[[ "${{ steps.default-matrix.outputs.stable-python }}" == "3.12" ]] || exit 1
[[ "${{ steps.default-matrix.outputs.oldest-python }}" == "3.10" ]] || exit 1
python utils/assert_varray.py --input ${{ toJSON(steps.default-matrix.outputs.python-versions) }} --target '["3.11", "3.12", "3.13", "3.14"]'
[[ "${{ steps.default-matrix.outputs.latest-python }}" == "3.14" ]] || exit 1
[[ "${{ steps.default-matrix.outputs.stable-python }}" == "3.13" ]] || exit 1
[[ "${{ steps.default-matrix.outputs.oldest-python }}" == "3.11" ]] || exit 1
echo "test 2"
python utils/assert_varray.py --input ${{ toJSON(steps.exclude-latest.outputs.python-versions) }} --target '["3.10", "3.11", "3.12"]'
[[ "${{ steps.exclude-latest.outputs.latest-python }}" == "3.12" ]] || exit 1
[[ "${{ steps.exclude-latest.outputs.stable-python }}" == "3.11" ]] || exit 1
[[ "${{ steps.exclude-latest.outputs.oldest-python }}" == "3.10" ]] || exit 1
python utils/assert_varray.py --input ${{ toJSON(steps.exclude-latest.outputs.python-versions) }} --target '["3.11", "3.12", "3.13"]'
[[ "${{ steps.exclude-latest.outputs.latest-python }}" == "3.13" ]] || exit 1
[[ "${{ steps.exclude-latest.outputs.stable-python }}" == "3.12" ]] || exit 1
[[ "${{ steps.exclude-latest.outputs.oldest-python }}" == "3.11" ]] || exit 1
echo "test 3"
python utils/assert_varray.py --input ${{ toJSON(steps.exclude-2-include-1.outputs.python-versions) }} --target '["3.10", "3.12", "3.13", "3.14"]'
python utils/assert_varray.py --input ${{ toJSON(steps.exclude-2-include-1.outputs.python-versions) }} --target '["3.10", "3.13", "3.14"]'
[[ "${{ steps.exclude-2-include-1.outputs.latest-python }}" == "3.14" ]] || exit 1
[[ "${{ steps.exclude-2-include-1.outputs.stable-python }}" == "3.13" ]] || exit 1
[[ "${{ steps.exclude-2-include-1.outputs.oldest-python }}" == "3.10" ]] || exit 1
Expand All @@ -80,7 +80,7 @@ jobs:
[[ "${{ steps.release-243.outputs.stable-python }}" == "3.10" ]] || exit 1
[[ "${{ steps.release-243.outputs.oldest-python }}" == "3.8" ]] || exit 1
echo "test 5"
python utils/assert_varray.py --input ${{ toJSON(steps.mda-latest.outputs.python-versions) }} --target '["3.10", "3.11", "3.12", "3.13"]'
python utils/assert_varray.py --input ${{ toJSON(steps.mda-latest.outputs.python-versions) }} --target '["3.11", "3.12", "3.13", "3.14"]'

python-config:
runs-on: ubuntu-latest
Expand All @@ -90,21 +90,21 @@ jobs:
latest-python: ${{ steps.get-compatible-python.outputs.latest-python }}
oldest-python: ${{ steps.get-compatible-python.outputs.oldest-python }}
steps:
- uses: actions/setup-python@v4
- uses: actions/setup-python@v6
with:
python-version: "3.11"
python-version: "3.13"

- name: get compatible python
id: get-compatible-python
uses: MDAnalysis/mdanalysis-compatible-python@main

matrix-test:
needs: python-config
runs-on: ubuntu-22.04
runs-on: ubuntu-latest
strategy:
matrix:
python: ${{ fromJSON(needs.python-config.outputs.python-matrix) }}
steps:
- uses: actions/setup-python@v4
- uses: actions/setup-python@v6
with:
python-version: ${{matrix.python}}
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