This issue lists Renovate updates and detected dependencies. Read the Dependency Dashboard docs to learn more.View this repository on the Mend.io Web Portal .
Abandoned Dependencies
The following dependencies have not received updates for an extended period and may be unmaintained.
Note
Packages are marked as abandoned when they exceed the abandonmentThreshold since their last release. Unlike deprecated packages with official notices, abandonment is detected by release inactivity.
View abandoned dependencies (7)
Rate-Limited
The following updates are currently rate-limited. To force their creation now, click on a checkbox below.
Pending Status Checks
The following updates await pending status checks. To force their creation now, click on a checkbox below.
Open
The following updates have all been created. To force a retry/rebase of any, click on a checkbox below.
Detected Dependencies
github-actions (8)
.github/workflows/coveralls-main.yaml (2)
ubuntu 24.04 → [Updates: 26.04]
python 3.14
.github/workflows/daily.yaml (2)
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
actions/setup-python v7.0.0@5fda3b95a4ea91299a34e894583c3862153e4b97
.github/workflows/pr.yaml (12)
actions/upload-artifact v7.0.1@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a
actions/upload-artifact v7.0.1@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a
ubuntu 24.04 → [Updates: 26.04]
python 3.14
ubuntu 24.04 → [Updates: 26.04]
python 3.14
ubuntu 24.04 → [Updates: 26.04]
python 3.14
ubuntu 24.04 → [Updates: 26.04]
python 3.14
ubuntu 24.04 → [Updates: 26.04]
python 3.14
.github/workflows/release.yaml (20)
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
actions/setup-python v7.0.0@5fda3b95a4ea91299a34e894583c3862153e4b97
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
peter-evans/create-pull-request v8.1.1@5f6978faf089d4d20b00c7766989d076bb2fc7f1
hmarr/auto-approve-action v4.0.0@f0939ea97e9205ef24d872e76833fa908a770363
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
softprops/action-gh-release v3.0.3@efb35369e0ad2afab669f228072c1b0d510eae64
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
actions/setup-python v7.0.0@5fda3b95a4ea91299a34e894583c3862153e4b97
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
conda-incubator/setup-miniconda v4.1.0@be893c923ea9cf1cf7cd510fbdde27c7e18cbdcb
ubuntu 24.04 → [Updates: 26.04]
python 3.14.7
ubuntu 24.04 → [Updates: 26.04]
ubuntu 24.04 → [Updates: 26.04]
ubuntu 24.04 → [Updates: 26.04]
ubuntu 24.04 → [Updates: 26.04]
python 3.14.7
ubuntu 24.04 → [Updates: 26.04]
python 3.14
.github/workflows/update_regression_baselines.yaml (5)
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
actions/setup-python v7.0.0@5fda3b95a4ea91299a34e894583c3862153e4b97
stefanzweifel/git-auto-commit-action v7.2.0@4a55954c782fc1ea30b9056cd3e7a2b40ca8887d
ubuntu 24.04 → [Updates: 26.04]
python 3.14
.github/workflows/update-copyright-years-in-license-file.yaml (2)
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
FantasticFiasco/action-update-license-year v3.0.4@f180e962fa988db222d8f03ef4636750312d1b3d
.github/workflows/weekly-docs.yaml (3)
actions/checkout v7.0.1@3d3c42e5aac5ba805825da76410c181273ba90b1
actions/setup-python v7.0.0@5fda3b95a4ea91299a34e894583c3862153e4b97
actions/upload-artifact v7.0.1@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a
.github/workflows/weekly-regression.yaml (5)
actions/upload-artifact v7.0.1@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a
ubuntu 24.04 → [Updates: 26.04]
python 3.14
ubuntu 24.04 → [Updates: 26.04]
python 3.14
poetry (1)
pyproject.toml (32)
numpy >=2.3,<3.0
mdanalysis >=2.10,<3.0
pandas >=3,<3.1
psutil >=7.1,<8.0
PyYAML >=6.0,<7.0
python-json-logger >=4.0,<5.0
rich >=15,<15.1
art >=6.5,<7.0
networkx >=3.6,<3.7 → [Updates: >=3.7,<3.8]
matplotlib >=3.11,<3.12
waterEntropy >=2,<2.3
requests >=2.32,<3.0
rdkit >=2025.9.5
numba >=0.65.1,<0.70
dask >=2026.1.2,<2026.2.0 → [Updates: >=2026.8.0,<2026.9.0]
dask-jobqueue >=0.9.0,<0.10
distributed >=2026.1.2,<2026.2.0 → [Updates: >=2026.8.0,<2026.9.0]
pytest >=9.0,<10.0
pytest-cov >=7.0,<8.0
pytest-sugar >=1.1,<2.0
pre-commit >=4.5,<5.0
ruff >=0.16,<0.17
pylint >=4.0,<5.0
rstcheck >=6.2,<7.0
sphinx >=9.1,<9.2
nbsphinx >=0.9,<1.0
sphinx-rtd-theme >=3,<3.2
sphinxcontrib-contentui >=0.2,<1.0
sphinxcontrib-details-directive >=0.1,<1.0
sphinx-copybutton >=0.5,<1.0
furo >=2025.0,<2026.0
markupsafe >=3.0,<4.0
This issue lists Renovate updates and detected dependencies. Read the Dependency Dashboard docs to learn more.
View this repository on the Mend.io Web Portal.
Abandoned Dependencies
The following dependencies have not received updates for an extended period and may be unmaintained.
Note
Packages are marked as abandoned when they exceed the
abandonmentThresholdsince their last release. Unlike deprecated packages with official notices, abandonment is detected by release inactivity.View abandoned dependencies (7)
2024-02-032025-04-12dask-jobqueue2024-08-222025-08-232023-04-142020-04-182019-09-22Rate-Limited
The following updates are currently rate-limited. To force their creation now, click on a checkbox below.
Pending Status Checks
The following updates await pending status checks. To force their creation now, click on a checkbox below.
Open
The following updates have all been created. To force a retry/rebase of any, click on a checkbox below.
Detected Dependencies
github-actions (8)
poetry (1)