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pin setuptools #295

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e200788
pin setuptools
IAlibay Jun 9, 2025
d72d829
commit changes to status files
IAlibay Jun 9, 2025
e61a22b
swap around mda install order
IAlibay Jun 9, 2025
3490f38
Merge branch 'pin-setuptools' of github.com:MDAnalysis/MDAKits into p…
IAlibay Jun 9, 2025
ff66f17
pin numpy max
IAlibay Jun 9, 2025
da6461d
commit changes to status files
IAlibay Jun 9, 2025
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27 changes: 17 additions & 10 deletions .github/workflows/gh-ci-cron.yaml
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Expand Up @@ -66,7 +66,7 @@ jobs:
- id: get-base-python-deps
name: get-base-python-deps
run: |
pip install requests setuptools packaging pyyaml pydantic PyGithub
pip install requests "setuptools<80.9" packaging pyyaml pydantic PyGithub

- id: check-set-python-bounds
name: check-set-python-bounds
Expand Down Expand Up @@ -94,9 +94,19 @@ jobs:
- id: install-conda-base-deps
name: install-conda-base-deps
run: |
mamba install requests setuptools packaging pyyaml pydantic
mamba install requests "setuptools<80.9" packaging pyyaml pydantic "numpy<2.3"
pip install PyGithub

- id: install-mdanalysis
name: install-mdanalysis
uses: MDAnalysis/install-mdanalysis@main
continue-on-error: true
with:
version: ${{ matrix.jobstep }}
install-tests: true
installer: mamba
shell: bash -l {0}

- id: install-mdakit
name: install-mdakit
continue-on-error: true
Expand All @@ -119,15 +129,12 @@ jobs:
echo "install tests:${install}"
eval ${install}

- id: install-mdanalysis
name: install-mdanalysis
uses: MDAnalysis/install-mdanalysis@main
- id: list-deps
name: list-deps
continue-on-error: true
with:
version: ${{ matrix.jobstep }}
install-tests: true
installer: mamba
shell: bash -l {0}
run: |
pip list
mamba list

- id: run-tests
name: run-tests
Expand Down
29 changes: 18 additions & 11 deletions .github/workflows/gh-ci.yaml
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Expand Up @@ -69,7 +69,7 @@ jobs:
- id: get-base-python-deps
name: get-base-python-deps
run: |
pip install requests setuptools packaging pyyaml pydantic PyGithub
pip install requests "setuptools<80.9" packaging pyyaml pydantic PyGithub

- id: check-set-python-bounds
name: check-set-python-bounds
Expand Down Expand Up @@ -97,9 +97,19 @@ jobs:
- id: install-conda-base-deps
name: install-conda-base-deps
run: |
mamba install requests setuptools packaging pyyaml pydantic
mamba install requests "setuptools<80.9" packaging pyyaml pydantic "numpy<2.3"
pip install PyGithub

- id: install-mdanalysis
name: install-mdanalysis
uses: MDAnalysis/install-mdanalysis@main
continue-on-error: false
with:
version: ${{ matrix.jobstep }}
install-tests: true
installer: mamba
shell: bash -l {0}

- id: install-mdakit
name: install-mdakit
continue-on-error: false
Expand All @@ -122,15 +132,12 @@ jobs:
echo "install tests:${install}"
eval ${install}

- id: install-mdanalysis
name: install-mdanalysis
uses: MDAnalysis/install-mdanalysis@main
continue-on-error: false
with:
version: ${{ matrix.jobstep }}
install-tests: true
installer: mamba
shell: bash -l {0}
- id: list-deps
name: list-deps
continue-on-error: true
run: |
pip list
mamba list

- id: run-tests
name: run-tests
Expand Down
4 changes: 2 additions & 2 deletions mdakits/domhmm/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
6 changes: 3 additions & 3 deletions mdakits/helanal/status.yaml
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Expand Up @@ -11,12 +11,12 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
install_python: true
install_test_deps: true
numfails: 27
numfails: 29
run_tests: false
4 changes: 2 additions & 2 deletions mdakits/lipidorderkit/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
2 changes: 1 addition & 1 deletion mdakits/lipyds/status.yaml
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Expand Up @@ -11,7 +11,7 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
numfails: 3
run_tests: false
latest:
install_mdakit: true
Expand Down
2 changes: 1 addition & 1 deletion mdakits/maicos/status.yaml
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Expand Up @@ -11,7 +11,7 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
numfails: 3
run_tests: true
latest:
install_mdakit: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/mda-tui/status.yaml
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Expand Up @@ -11,12 +11,12 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 59
numfails: 61
run_tests: false
latest:
install_mdakit: true
install_mdanalysis: true
install_python: true
install_test_deps: true
numfails: 59
numfails: 61
run_tests: false
4 changes: 2 additions & 2 deletions mdakits/mdachecker/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
2 changes: 1 addition & 1 deletion mdakits/mdacli/status.yaml
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Expand Up @@ -11,7 +11,7 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
numfails: 3
run_tests: true
latest:
install_mdakit: true
Expand Down
6 changes: 3 additions & 3 deletions mdakits/mdaencore/status.yaml
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Expand Up @@ -11,12 +11,12 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
install_python: true
install_test_deps: true
numfails: 4
numfails: 6
run_tests: false
4 changes: 2 additions & 2 deletions mdakits/mdahole2/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/mdakit-sasa/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
6 changes: 3 additions & 3 deletions mdakits/mdance/status.yaml
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Expand Up @@ -11,12 +11,12 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
install_python: true
install_test_deps: true
numfails: 17
numfails: 19
run_tests: false
2 changes: 1 addition & 1 deletion mdakits/mdonatello/status.yaml
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Expand Up @@ -11,7 +11,7 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
numfails: 3
run_tests: false
latest:
install_mdakit: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/membrane-curvature/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/menger_curvature/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/openmm-mdanalysis-reporter/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/openmmdl/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/pathsimanalysis/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/prolif/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/propkatraj/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/pytim/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
2 changes: 1 addition & 1 deletion mdakits/solvation-analysis/status.yaml
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Expand Up @@ -11,7 +11,7 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 28
numfails: 30
run_tests: false
latest:
install_mdakit: true
Expand Down
2 changes: 1 addition & 1 deletion mdakits/spyrmsdkit/status.yaml
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Expand Up @@ -11,7 +11,7 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 4
numfails: 6
run_tests: false
latest:
install_mdakit: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/transport-analysis/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/twodanalysis/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
4 changes: 2 additions & 2 deletions mdakits/waterdynamics/status.yaml
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Expand Up @@ -11,8 +11,8 @@ develop:
install_mdanalysis: false
install_python: true
install_test_deps: true
numfails: 1
run_tests: false
numfails: 3
run_tests: true
latest:
install_mdakit: true
install_mdanalysis: true
Expand Down
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