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@dependabot dependabot bot commented on behalf of github Jul 7, 2025

Bumps step-security/harden-runner from 2.12.1 to 2.12.2.

Release notes

Sourced from step-security/harden-runner's releases.

v2.12.2

What's Changed

Added HTTPS Monitoring for additional destinations - *.githubusercontent.com Bug fixes:

  • Implicitly allow local multicast, local unicast and broadcast IP addresses in block mode
  • Increased policy map size for block mode

Full Changelog: step-security/harden-runner@v2...v2.12.2

Commits

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@dependabot dependabot bot added dependencies Pull requests that update a dependency file github_actions Pull requests that update GitHub Actions code labels Jul 7, 2025
@dependabot dependabot bot force-pushed the dependabot/github_actions/step-security/harden-runner-2.12.2 branch from 001205c to 8cb9791 Compare July 10, 2025 04:53
@dependabot dependabot bot force-pushed the dependabot/github_actions/step-security/harden-runner-2.12.2 branch from 8cb9791 to c08b19c Compare July 14, 2025 05:26
Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.1 to 2.12.2.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@002fdce...6c439dc)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot force-pushed the dependabot/github_actions/step-security/harden-runner-2.12.2 branch from c08b19c to 6e1b7ac Compare July 14, 2025 05:32
@ClaudiaComito ClaudiaComito merged commit bd2fbf8 into main Jul 14, 2025
6 checks passed
@dependabot dependabot bot deleted the dependabot/github_actions/step-security/harden-runner-2.12.2 branch July 14, 2025 05:36
JuanPedroGHM added a commit that referenced this pull request Sep 3, 2025
* Update heat/core/io.py

Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* added test for dndarray.info

* added tests for two uncovered exception lines

* one additional line from DMD covered

* one more line in DMD covered

* debugging

* build(deps): bump actions/setup-python from 5.4.0 to 5.5.0

Bumps [actions/setup-python](https://github.com/actions/setup-python) from 5.4.0 to 5.5.0.
- [Release notes](https://github.com/actions/setup-python/releases)
- [Commits](actions/setup-python@4237552...8d9ed9a)

---
updated-dependencies:
- dependency-name: actions/setup-python
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/PyCQA/flake8: 7.1.2 → 7.2.0](PyCQA/flake8@7.1.2...7.2.0)

* build(deps): bump github/codeql-action from 3.28.12 to 3.28.13

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.12 to 3.28.13.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@5f8171a...1b549b9)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* further work on eigh

* eigh completed for split = 0

* flake8

* tests for eigh, now split=none,0,1

* build(deps): bump step-security/harden-runner from 2.11.0 to 2.11.1 (#1851)

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.11.0 to 2.11.1.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@4d991eb...c6295a6)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.11.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump actions/dependency-review-action from 4.5.0 to 4.6.0 (#1850)

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.5.0 to 4.6.0.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](actions/dependency-review-action@3b139cf...ce3cf95)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.6.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Apply suggestions from code review

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>

* minor modifications due to Copilot's Review

* added SVD for general case

* reformatting

* tests for SVD

* tests for SVD completed

* added module _config in core which is intended to handle MPI, CUDA, and ROCm versioning

* added variable GPU_AWARE_MPI

* added MPICH

* changed method info into __repr__

* moved __repr__ to printing module

* removed dead code

* restructuring of tests

* added further test to DMDc

* small typo corrected

* adapted tolerances for last test; errors grow w.r.t. timesteps (is in the nature of DMD), so largest number of procs determines tolerance

* Update test_dmd.py

lower tolerances for the AMD-runner

* dummy commit since sth was wrong with pre-commit

* corrected tests

* debugging of tests

* Remove unnecessary contiguous calls (#1831)

* removed contiguous calls from manipulations.py

* removed the contiguous calls from linalg/qr.py

* removed unnecessary contiguous call in factories.py

* removed some more unnecessary contiguous calls

* reinstate contiguous() calls if needed

* removed the contiguous calls from linalg/qr.py

* reinstate setting Q_buf to Q_curr

---------

Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.28.13 to 3.28.15

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.13 to 3.28.15.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@1b549b9...45775bd)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.15
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* removed debugging prints that were forgotten before merging into main

* subTest'ified the zarr tests, added some strange exception handling that is likely necessary to accomodate zarr-versions compatible with Python 3.10

* small bug fix

* bugfix in eigh

* removed unneccesary numpy import

* changed representation string according to review

* debugging of memory consumption in Polar

* bug fixes for devices in polar and eigh

* bugfixes for certain device constellations

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update README.md

* Support latest PyTorch release

* Make unit tests compatible with NumPy 2.x (#1826)

* changed row_stack to vstack for numpy >= 2.0.0

* Changed the numpy version check to the numpy suggested method

* Changed numpy version requirement

* fixed DeprecationWarning from missing axes for np.fft.fftn

* Fixed one __array_wrap__ DeprecationWarning

* Stopped testing cross of vector axes with 2 elements for numpy >= 2.0

* changed requirements to avoid errors with numpy >= 2

* Using Python 3.10 for RecievePR

* changed python-version to '3.10' because 3.10 was interpreted as 3.1

* changed ci.yaml to exclude python 3.9

* Fixed two DeprecationWarnings of np.cross() by adding a third dimension with zeros

* Fixed the last np.cross() warning by performing the operation manually

* changed dtype of np.cross() to float32

---------

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump actions/setup-python from 5.5.0 to 5.6.0 (#1863)

* build(deps): bump actions/setup-python from 5.5.0 to 5.6.0

Bumps [actions/setup-python](https://github.com/actions/setup-python) from 5.5.0 to 5.6.0.
- [Release notes](https://github.com/actions/setup-python/releases)
- [Commits](actions/setup-python@8d9ed9a...a26af69)

---
updated-dependencies:
- dependency-name: actions/setup-python
  dependency-version: 5.6.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* Debugging

---------

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump docker/build-push-action from 6.15.0 to 6.16.0 (#1860)

Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 6.15.0 to 6.16.0.
- [Release notes](https://github.com/docker/build-push-action/releases)
- [Commits](docker/build-push-action@471d1dc...14487ce)

---
updated-dependencies:
- dependency-name: docker/build-push-action
  dependency-version: 6.16.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump step-security/harden-runner from 2.11.1 to 2.12.0 (#1861)

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.11.1 to 2.12.0.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@c6295a6...0634a26)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.28.15 to 3.28.17 (#1866)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.15 to 3.28.17.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@45775bd...60168ef)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.17
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump actions/dependency-review-action from 4.6.0 to 4.7.0

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.6.0 to 4.7.0.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](actions/dependency-review-action@ce3cf95...38ecb5b)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.7.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* added benchmarks for eigh, svd, and rsvd

* dummy commit to trigger benchmark runs

* Support latest PyTorch release

* changed torchvision version to <0.22.1

* retrigger checks

* build(deps): bump github/codeql-action from 3.28.17 to 3.28.18

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.17 to 3.28.18.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@60168ef...ff0a06e)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.18
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump docker/build-push-action from 6.16.0 to 6.17.0

Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 6.16.0 to 6.17.0.
- [Release notes](https://github.com/docker/build-push-action/releases)
- [Commits](docker/build-push-action@14487ce...1dc7386)

---
updated-dependencies:
- dependency-name: docker/build-push-action
  dependency-version: 6.17.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump actions/dependency-review-action from 4.7.0 to 4.7.1

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.7.0 to 4.7.1.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](actions/dependency-review-action@38ecb5b...da24556)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.7.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* RTD Notebook gallery and profiling notebook with perun. (#1867)

* docs: notebook gallery in rtd

* docs: missing makefiles

* docs: reverted changes to gitignore

* haicore notebook setup

* ompi in readthedocs build

* correct apt package for mpi

* docs: replaced small bodies dataset with digits from sklearn (boring, but easier to access on the long term)

* perun notebook

* wrong cell type

* added pytorch 2.7 to ci workflow

* docs: post practice run fixes

* notebook thumbnails, formatting and corrections for tutorial

* forgot to uncomment autoapi

* build(deps): bump github/codeql-action from 3.28.18 to 3.28.19 (#1881)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.18 to 3.28.19.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@ff0a06e...fca7ace)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.19
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump docker/build-push-action from 6.17.0 to 6.18.0 (#1877)

Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 6.17.0 to 6.18.0.
- [Release notes](https://github.com/docker/build-push-action/releases)
- [Commits](docker/build-push-action@1dc7386...2634353)

---
updated-dependencies:
- dependency-name: docker/build-push-action
  dependency-version: 6.18.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump ossf/scorecard-action from 2.4.1 to 2.4.2 (#1878)

Bumps [ossf/scorecard-action](https://github.com/ossf/scorecard-action) from 2.4.1 to 2.4.2.
- [Release notes](https://github.com/ossf/scorecard-action/releases)
- [Changelog](https://github.com/ossf/scorecard-action/blob/main/RELEASE.md)
- [Commits](ossf/scorecard-action@f49aabe...05b42c6)

---
updated-dependencies:
- dependency-name: ossf/scorecard-action
  dependency-version: 2.4.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump step-security/harden-runner from 2.12.0 to 2.12.1

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.0 to 2.12.1.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@0634a26...002fdce)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump github/codeql-action from 3.28.19 to 3.29.0

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.19 to 3.29.0.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@fca7ace...ce28f5b)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* Add special methods for operations in NumPy

* add tests for NumPy related array methods

* fix variable name

* Exit installation if conda environment cannot be activated (#1880)

* exit 0_setup_conda.sh if environment cannot be activated

otherwise the script might install into the base environment

* exit 0_setup_pip.sh if environment cannot be activated

---------

Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>

* fix item access

* add contiguous call again

* same as before

* [pre-commit.ci] pre-commit autoupdate (#1894)

updates:
- [github.com/PyCQA/flake8: 7.2.0 → 7.3.0](PyCQA/flake8@7.2.0...7.3.0)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* bugfix in rSVD for the case the rank is smaller than number of processes

* build(deps): bump github/codeql-action from 3.29.0 to 3.29.1

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.0 to 3.29.1.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@ce28f5b...39edc49)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* resolved bug in rSVD, actualle one-process QR

* Support PyTorch 2.7.1 (#1883)

* Support latest PyTorch release

* Update ci.yaml

pytorch: add v2.2, drop v1.11

* debugging test_lasso

* Support latest PyTorch release

* Update bug_report.yml

Add latest versions for options

* update torchvision

* do not test latest torch in matrix

* pin zarr version

* remove dead code

* pin zarr to 3.0.8

* add back latest pytorch to matrix

* edit PR body

* Update ci.yaml

---------

Co-authored-by: ClaudiaComito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: Michael Tarnawa <m.tarnawa@fz-juelich.de>
Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1

Bumps [docker/setup-buildx-action](https://github.com/docker/setup-buildx-action) from 3.10.0 to 3.11.1.
- [Release notes](https://github.com/docker/setup-buildx-action/releases)
- [Commits](docker/setup-buildx-action@b5ca514...e468171)

---
updated-dependencies:
- dependency-name: docker/setup-buildx-action
  dependency-version: 3.11.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* Update polar.py

* Revert "build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1" (#1908)

* support torch_function (#1895)

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Features/1845 Update citations  (#1846)

* Update README.md: added citation possibilities

* Update README.md: link to ZENODO

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update README.md

* Update README.md

* Update README.md

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Transition to pyproject.toml, Ruff, and mypy (#1832)

* Support latest PyTorch release

* Support latest PyTorch release

* retrigger checks

* wip: toml, ruff, mypy and cli

* ci: better mypy error filter (down to 3041)

* ci: mypy in list of dev deps

* ci: skiping mypy for now

* dependency specification

* missing argument description for permute method

* fixed dynamic version in pyproject.toml

* properly skipping mypy in the pre-commit.ci

* fixed dependencies, removed references to python 3.9, added python 3.13

* doc -> docs

* fixed tests

* cli tests

* Update .github/ISSUE_TEMPLATE/bug_report.yml

Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* removed problematic pytorch version?!

* consistency is important

* did not work

* vulnerabitliy removal, other changes to toml

* It's not working :(

* fixing tests

* Update .pre-commit-config.yaml

* fix: cli does not change the default device

* fix: support for older pytorch version on the cli, limit zarr package version

* Update pytorch exclude with py-3.13

---------

Co-authored-by: ClaudiaComito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: Marc-Jindra <m.jindra@fz-juelich.de>
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* build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1 (#1911)

Bumps [docker/setup-buildx-action](https://github.com/docker/setup-buildx-action) from 3.10.0 to 3.11.1.
- [Release notes](https://github.com/docker/setup-buildx-action/releases)
- [Commits](docker/setup-buildx-action@b5ca514...e468171)

---
updated-dependencies:
- dependency-name: docker/setup-buildx-action
  dependency-version: 3.11.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
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* build(deps): bump github/codeql-action from 3.29.1 to 3.29.2 (#1910)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.1 to 3.29.2.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@39edc49...181d5ee)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
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* build(deps): bump step-security/harden-runner from 2.12.1 to 2.12.2 (#1909)

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.1 to 2.12.2.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@002fdce...6c439dc)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
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* Apply suggestions from code review

Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* took review into account

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* pre-commit stuff

* [pre-commit.ci] pre-commit autoupdate (#1912)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.11.13 → v0.12.3](astral-sh/ruff-pre-commit@v0.11.13...v0.12.3)

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* Updated release_prep.yml to incorporate up-to-date Dockerfile Pytorch versions (#1903)

* Create update_docker.yml

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update release-prep.yml

Added the update functionality of the Dockerfile.source and Dockerfile.release Pytorch Image versions.

* [pre-commit.ci] auto fixes from pre-commit.com hooks

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* Removed update_docker.yml since the functionality was moved to release prep

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* [StepSecurity] Apply security best practices (#1891)

* [StepSecurity] Apply security best practices

Signed-off-by: StepSecurity Bot <bot@stepsecurity.io>

* Test with shellcheck-py

* Update .pre-commit-config.yaml

* shellcheck updates

* Update build_and_push.sh

* Update increment_version.sh

* Update increment_version.sh

* Update build_and_push.sh

* Update test_nvidia_image_haicore_enroot.sh

* Update test_nvidia_image_haicore_enroot.sh

* Update build_and_push.sh

* Update 0_setup_pip.sh

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* build(deps): bump korthout/backport-action from 3.2.0 to 3.2.1

Bumps [korthout/backport-action](https://github.com/korthout/backport-action) from 3.2.0 to 3.2.1.
- [Release notes](https://github.com/korthout/backport-action/releases)
- [Commits](korthout/backport-action@436145e...0193454)

---
updated-dependencies:
- dependency-name: korthout/backport-action
  dependency-version: 3.2.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
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* build(deps): bump step-security/harden-runner from 2.12.1 to 2.13.0

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.1 to 2.13.0.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@v2.12.1...ec9f2d5)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.13.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/pre-commit/mirrors-mypy: v1.16.1 → v1.17.0](pre-commit/mirrors-mypy@v1.16.1...v1.17.0)
- [github.com/astral-sh/ruff-pre-commit: v0.12.3 → v0.12.4](astral-sh/ruff-pre-commit@v0.12.3...v0.12.4)
- [github.com/gitleaks/gitleaks: v8.16.3 → v8.28.0](gitleaks/gitleaks@v8.16.3...v8.28.0)

* Fix ValueError in save_zarr by conditional handling of chunks argument

Fixes error when calling zarr.create by only passing chunks as a list if not None.

* Unfix zarr version in pyproject.toml to test CI job `test_amd`

* Add note in docstring of save_zarr()

* build(deps): bump tj-actions/branch-names from 8.2.1 to 9.0.1

Bumps [tj-actions/branch-names](https://github.com/tj-actions/branch-names) from 8.2.1 to 9.0.1.
- [Release notes](https://github.com/tj-actions/branch-names/releases)
- [Changelog](https://github.com/tj-actions/branch-names/blob/main/HISTORY.md)
- [Commits](tj-actions/branch-names@dde14ac...386e117)

---
updated-dependencies:
- dependency-name: tj-actions/branch-names
  dependency-version: 9.0.1
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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* build(deps): bump github/codeql-action from 3.29.2 to 3.29.4

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.2 to 3.29.4.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@181d5ee...4e828ff)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.4
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Setuptools build fix on pytproject.toml (#1919)

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.4 → v0.12.5](astral-sh/ruff-pre-commit@v0.12.4...v0.12.5)

* Stride argument for convolution (#1865)

* Add: enable stride as input option for convolution

Belongs to Issue 1755

Changes include
- stride as optional input
- stride in docstring (except for output dim computations and as
  example)
- raise ValueError for incorrect option (stride < 1) and combinations (stride >
  1 and mode = 'same')

* Add: Failing stride tests in test_signal.py

- Added correct results for odd and even kernel
- Added calls for convolution with stride=2 except with exception for mode `same`
- Covers is_mps true and false
- Stopped at tests for large distributed signals

* Add: Pass stride tests for standard cases

Belongs to Issue 1755

- edge cases and batch-processing not yet implemented or tested
- Fix test error
- Implement stride to pass tests
- Write convolution_stride.py script for debugging purposes, will be
  removed later

* Add: test for large signals with stride

Belongs to Issue 1755
- passes

* Add: Test cases until batch

Belongs to issue 1755
- Passes tests

* Add: Failing tests for batch convolution with stride

Belongs to Issue 1755

* Add: batch processing with stride

Belongs to Issue 1755
- Added stride to conv1D call in batch_convolution
- Passes tests

* Remove: Remove script to test convolution with stride

* Update: Docstring of convolution

Belongs to Issue 1755
- Correct stride information
- Add examples

* Fail: Tests fail for mpirun -n3 ...

- Issue with halo size
- Problem marked in code
- Not solved

* Update: Split stride tests

- Different configurations in different tests functions
- If process number == 1: all pass
- If multiple process < 3 (because tested only then), 5 fail
- This needs to be fixed, likely fails due to wrong halo in presence of
  stride

* Add: Enable stride on distributed arrays but not kernels

Adjust signal on each rank such that it starts with the next kernel
according to stride
- Added the compution of starting values for each rank
- Avoid doubles for even and odd kernels

Halo size computation is independent of stride

Added a script for debugging, will be removed

Ideas: generalize it for stride 1 (should work out of the box)

To do: Adapt for distributed kernels

* Add: Distributed Kernels and optimized start index computation

Optimized start index computation:
- Remove global index array
- Use lshap map and simple modulo operation only

Distributed kernels
- Any stride > 1 is a subset of the solution for stride 1
- Not the most efficient but at least functional

* Fix: Improve test coverage

Still missing
- Cuda code bits
- else statement beginning line 229

* Delete: conv_test.py

Test script no longer needed

* Add: Add benchmarks for signal.py

* Add: script to test benchmark

- empty so far

* Fix: Benchmarks

- Fix run_signal_benchmarks
- Add run_signal_benchmarks to main.py

Remove: print statements from convolution in signal.py

* Fix: benchmarks/cb/signal.py

- add () to monitor decorator of perun

* Fix: Rename signal.py to avoid clash with python3.12 signal

- change signal.py to heat_signal.py

* Fix: Adjust array numbers for benchmarking

* Remove: benchmark script from scripts/

* Fix: Benchmarking signal.py and testing signal.py

- Benchmark improved
- removed import pytest from test_signal.py

* Fix: test_signal.py batch convolution with stride

- Stride was not passed as a single value but different values for
  different ranks
- Solution: Do not randomly create stride values but use fixed values

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Fix: test_convolution-stride_large_signal_and_kernel_modes

- Remove torch arrays
- Instead work with np.convolve similar to test without stride

* Fix: Add device for empty torch tensors

- Stride test fails for large arrays
- Error message says, that device does not match
- Due to large stride, potentially empty tensor creation -> add device
  to that tensor created

* Fix: torch_device instead of device

- when empty tensor is called, use torch_device

* Fix: Missed .device to previous commit

* Fix: torch device not accessible

- instead use str(ht_array.device)
- Use signal.device to get correct rank

---------

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Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* build(deps): bump tj-actions/branch-names from 9.0.1 to 9.0.2 (#1930)

Bumps [tj-actions/branch-names](https://github.com/tj-actions/branch-names) from 9.0.1 to 9.0.2.
- [Release notes](https://github.com/tj-actions/branch-names/releases)
- [Changelog](https://github.com/tj-actions/branch-names/blob/main/HISTORY.md)
- [Commits](tj-actions/branch-names@386e117...5250492)

---
updated-dependencies:
- dependency-name: tj-actions/branch-names
  dependency-version: 9.0.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
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* build(deps): bump github/codeql-action from 3.29.4 to 3.29.8 (#1933)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.4 to 3.29.8.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@4e828ff...76621b6)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.8
  dependency-type: direct:production
  update-type: version-update:semver-patch
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* build(deps): bump docker/login-action from 3.4.0 to 3.5.0 (#1934)

Bumps [docker/login-action](https://github.com/docker/login-action) from 3.4.0 to 3.5.0.
- [Release notes](https://github.com/docker/login-action/releases)
- [Commits](docker/login-action@74a5d14...184bdaa)

---
updated-dependencies:
- dependency-name: docker/login-action
  dependency-version: 3.5.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate (#1931)

updates:
- [github.com/pre-commit/mirrors-mypy: v1.17.0 → v1.17.1](pre-commit/mirrors-mypy@v1.17.0...v1.17.1)
- [github.com/astral-sh/ruff-pre-commit: v0.12.5 → v0.12.7](astral-sh/ruff-pre-commit@v0.12.5...v0.12.7)

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* Update CODE_OF_CONDUCT.md

New email for reporting

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* build(deps): bump github/codeql-action from 3.29.8 to 3.29.9 (#1943)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.8 to 3.29.9.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@76621b6...df55935)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.9
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump actions/checkout from 4.2.2 to 5.0.0 (#1942)

Bumps [actions/checkout](https://github.com/actions/checkout) from 4.2.2 to 5.0.0.
- [Release notes](https://github.com/actions/checkout/releases)
- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md)
- [Commits](actions/checkout@11bd719...08c6903)

---
updated-dependencies:
- dependency-name: actions/checkout
  dependency-version: 5.0.0
  dependency-type: direct:production
  update-type: version-update:semver-major
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* build(deps): bump korthout/backport-action from 3.2.1 to 3.3.0 (#1944)

Bumps [korthout/backport-action](https://github.com/korthout/backport-action) from 3.2.1 to 3.3.0.
- [Release notes](https://github.com/korthout/backport-action/releases)
- [Commits](korthout/backport-action@0193454...ca4972a)

---
updated-dependencies:
- dependency-name: korthout/backport-action
  dependency-version: 3.3.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate (#1936)

updates:
- [github.com/pre-commit/pre-commit-hooks: v5.0.0 → v6.0.0](pre-commit/pre-commit-hooks@v5.0.0...v6.0.0)
- [github.com/astral-sh/ruff-pre-commit: v0.12.7 → v0.12.8](astral-sh/ruff-pre-commit@v0.12.7...v0.12.8)
- [github.com/shellcheck-py/shellcheck-py: v0.10.0.1 → v0.11.0.1](shellcheck-py/shellcheck-py@v0.10.0.1...v0.11.0.1)

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* Update latest-pytorch-support.yml (#1950)

move to pyproject.toml

* [pre-commit.ci] pre-commit autoupdate (#1949)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.8 → v0.12.9](astral-sh/ruff-pre-commit@v0.12.8...v0.12.9)

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* Bump version to 1.6.0

* Update pytorch image in Dockerfile.release and Dockerfile.source to version

* update coverage, add link to issue search

* add FFT, masked arrays

* Update authors and contributors in CITATION.cff

* fix: typo in release drafter

* Updated Changelog

* changelog highlights

* Update micro version to 0

* Update CHANGELOG.md

* [pre-commit.ci] auto fixes from pre-commit.com hooks

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JuanPedroGHM added a commit that referenced this pull request Dec 22, 2025
* add contiguous call again

* same as before

* [pre-commit.ci] pre-commit autoupdate (#1894)

updates:
- [github.com/PyCQA/flake8: 7.2.0 → 7.3.0](https://github.com/PyCQA/flake8/compare/7.2.0...7.3.0)

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* bugfix in rSVD for the case the rank is smaller than number of processes

* build(deps): bump github/codeql-action from 3.29.0 to 3.29.1

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.0 to 3.29.1.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/ce28f5bb42b7a9f2c824e633a3f6ee835bab6858...39edc492dbe16b1465b0cafca41432d857bdb31a)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* resolved bug in rSVD, actualle one-process QR

* Support PyTorch 2.7.1 (#1883)

* Support latest PyTorch release

* Update ci.yaml

pytorch: add v2.2, drop v1.11

* debugging test_lasso

* Support latest PyTorch release

* Update bug_report.yml

Add latest versions for options

* update torchvision

* do not test latest torch in matrix

* pin zarr version

* remove dead code

* pin zarr to 3.0.8

* add back latest pytorch to matrix

* edit PR body

* Update ci.yaml

---------

Co-authored-by: ClaudiaComito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: Michael Tarnawa <m.tarnawa@fz-juelich.de>
Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1

Bumps [docker/setup-buildx-action](https://github.com/docker/setup-buildx-action) from 3.10.0 to 3.11.1.
- [Release notes](https://github.com/docker/setup-buildx-action/releases)
- [Commits](https://github.com/docker/setup-buildx-action/compare/b5ca514318bd6ebac0fb2aedd5d36ec1b5c232a2...e468171a9de216ec08956ac3ada2f0791b6bd435)

---
updated-dependencies:
- dependency-name: docker/setup-buildx-action
  dependency-version: 3.11.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* Update polar.py

* Revert "build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1" (#1908)

* support torch_function (#1895)

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Features/1845 Update citations  (#1846)

* Update README.md: added citation possibilities

* Update README.md: link to ZENODO

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update README.md

* Update README.md

* Update README.md

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Transition to pyproject.toml, Ruff, and mypy (#1832)

* Support latest PyTorch release

* Support latest PyTorch release

* retrigger checks

* wip: toml, ruff, mypy and cli

* ci: better mypy error filter (down to 3041)

* ci: mypy in list of dev deps

* ci: skiping mypy for now

* dependency specification

* missing argument description for permute method

* fixed dynamic version in pyproject.toml

* properly skipping mypy in the pre-commit.ci

* fixed dependencies, removed references to python 3.9, added python 3.13

* doc -> docs

* fixed tests

* cli tests

* Update .github/ISSUE_TEMPLATE/bug_report.yml

Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* removed problematic pytorch version?!

* consistency is important

* did not work

* vulnerabitliy removal, other changes to toml

* It's not working :(

* fixing tests

* Update .pre-commit-config.yaml

* fix: cli does not change the default device

* fix: support for older pytorch version on the cli, limit zarr package version

* Update pytorch exclude with py-3.13

---------

Co-authored-by: ClaudiaComito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: Marc-Jindra <m.jindra@fz-juelich.de>
Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1 (#1911)

Bumps [docker/setup-buildx-action](https://github.com/docker/setup-buildx-action) from 3.10.0 to 3.11.1.
- [Release notes](https://github.com/docker/setup-buildx-action/releases)
- [Commits](https://github.com/docker/setup-buildx-action/compare/b5ca514318bd6ebac0fb2aedd5d36ec1b5c232a2...e468171a9de216ec08956ac3ada2f0791b6bd435)

---
updated-dependencies:
- dependency-name: docker/setup-buildx-action
  dependency-version: 3.11.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* build(deps): bump github/codeql-action from 3.29.1 to 3.29.2 (#1910)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.1 to 3.29.2.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/39edc492dbe16b1465b0cafca41432d857bdb31a...181d5eefc20863364f96762470ba6f862bdef56b)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump step-security/harden-runner from 2.12.1 to 2.12.2 (#1909)

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.1 to 2.12.2.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](https://github.com/step-security/harden-runner/compare/002fdce3c6a235733a90a27c80493a3241e56863...6c439dc8bdf85cadbbce9ed30d1c7b959517bc49)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Apply suggestions from code review

Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* took review into account

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* pre-commit stuff

* [pre-commit.ci] pre-commit autoupdate (#1912)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.11.13 → v0.12.3](https://github.com/astral-sh/ruff-pre-commit/compare/v0.11.13...v0.12.3)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* Updated release_prep.yml to incorporate up-to-date Dockerfile Pytorch versions (#1903)

* Create update_docker.yml

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update release-prep.yml

Added the update functionality of the Dockerfile.source and Dockerfile.release Pytorch Image versions.

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Removed update_docker.yml since the functionality was moved to release prep

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* [StepSecurity] Apply security best practices (#1891)

* [StepSecurity] Apply security best practices

Signed-off-by: StepSecurity Bot <bot@stepsecurity.io>

* Test with shellcheck-py

* Update .pre-commit-config.yaml

* shellcheck updates

* Update build_and_push.sh

* Update increment_version.sh

* Update increment_version.sh

* Update build_and_push.sh

* Update test_nvidia_image_haicore_enroot.sh

* Update test_nvidia_image_haicore_enroot.sh

* Update build_and_push.sh

* Update 0_setup_pip.sh

---------

Signed-off-by: StepSecurity Bot <bot@stepsecurity.io>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump korthout/backport-action from 3.2.0 to 3.2.1

Bumps [korthout/backport-action](https://github.com/korthout/backport-action) from 3.2.0 to 3.2.1.
- [Release notes](https://github.com/korthout/backport-action/releases)
- [Commits](https://github.com/korthout/backport-action/compare/436145e922f9561fc5ea157ff406f21af2d6b363...0193454f0c5947491d348f33a275c119f30eb736)

---
updated-dependencies:
- dependency-name: korthout/backport-action
  dependency-version: 3.2.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump step-security/harden-runner from 2.12.1 to 2.13.0

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.1 to 2.13.0.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](https://github.com/step-security/harden-runner/compare/v2.12.1...ec9f2d5744a09debf3a187a3f4f675c53b671911)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.13.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/pre-commit/mirrors-mypy: v1.16.1 → v1.17.0](https://github.com/pre-commit/mirrors-mypy/compare/v1.16.1...v1.17.0)
- [github.com/astral-sh/ruff-pre-commit: v0.12.3 → v0.12.4](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.3...v0.12.4)
- [github.com/gitleaks/gitleaks: v8.16.3 → v8.28.0](https://github.com/gitleaks/gitleaks/compare/v8.16.3...v8.28.0)

* - added  function to load  multiple hdf5
- created tests for the function

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Fix ValueError in save_zarr by conditional handling of chunks argument

Fixes error when calling zarr.create by only passing chunks as a list if not None.

* Unfix zarr version in pyproject.toml to test CI job `test_amd`

* Add cpu cast for test ending.

* Add note in docstring of save_zarr()

* build(deps): bump tj-actions/branch-names from 8.2.1 to 9.0.1

Bumps [tj-actions/branch-names](https://github.com/tj-actions/branch-names) from 8.2.1 to 9.0.1.
- [Release notes](https://github.com/tj-actions/branch-names/releases)
- [Changelog](https://github.com/tj-actions/branch-names/blob/main/HISTORY.md)
- [Commits](https://github.com/tj-actions/branch-names/compare/dde14ac574a8b9b1cedc59a1cf312788af43d8d8...386e117ea34339627a40843704a60a3bc9359234)

---
updated-dependencies:
- dependency-name: tj-actions/branch-names
  dependency-version: 9.0.1
  dependency-type: direct:production
  update-type: version-update:semver-major
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump github/codeql-action from 3.29.2 to 3.29.4

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.2 to 3.29.4.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/181d5eefc20863364f96762470ba6f862bdef56b...4e828ff8d448a8a6e532957b1811f387a63867e8)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.4
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* Setuptools build fix on pytproject.toml (#1919)

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.4 → v0.12.5](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.4...v0.12.5)

* Stride argument for convolution (#1865)

* Add: enable stride as input option for convolution

Belongs to Issue 1755

Changes include
- stride as optional input
- stride in docstring (except for output dim computations and as
  example)
- raise ValueError for incorrect option (stride < 1) and combinations (stride >
  1 and mode = 'same')

* Add: Failing stride tests in test_signal.py

- Added correct results for odd and even kernel
- Added calls for convolution with stride=2 except with exception for mode `same`
- Covers is_mps true and false
- Stopped at tests for large distributed signals

* Add: Pass stride tests for standard cases

Belongs to Issue 1755

- edge cases and batch-processing not yet implemented or tested
- Fix test error
- Implement stride to pass tests
- Write convolution_stride.py script for debugging purposes, will be
  removed later

* Add: test for large signals with stride

Belongs to Issue 1755
- passes

* Add: Test cases until batch

Belongs to issue 1755
- Passes tests

* Add: Failing tests for batch convolution with stride

Belongs to Issue 1755

* Add: batch processing with stride

Belongs to Issue 1755
- Added stride to conv1D call in batch_convolution
- Passes tests

* Remove: Remove script to test convolution with stride

* Update: Docstring of convolution

Belongs to Issue 1755
- Correct stride information
- Add examples

* Fail: Tests fail for mpirun -n3 ...

- Issue with halo size
- Problem marked in code
- Not solved

* Update: Split stride tests

- Different configurations in different tests functions
- If process number == 1: all pass
- If multiple process < 3 (because tested only then), 5 fail
- This needs to be fixed, likely fails due to wrong halo in presence of
  stride

* Add: Enable stride on distributed arrays but not kernels

Adjust signal on each rank such that it starts with the next kernel
according to stride
- Added the compution of starting values for each rank
- Avoid doubles for even and odd kernels

Halo size computation is independent of stride

Added a script for debugging, will be removed

Ideas: generalize it for stride 1 (should work out of the box)

To do: Adapt for distributed kernels

* Add: Distributed Kernels and optimized start index computation

Optimized start index computation:
- Remove global index array
- Use lshap map and simple modulo operation only

Distributed kernels
- Any stride > 1 is a subset of the solution for stride 1
- Not the most efficient but at least functional

* Fix: Improve test coverage

Still missing
- Cuda code bits
- else statement beginning line 229

* Delete: conv_test.py

Test script no longer needed

* Add: Add benchmarks for signal.py

* Add: script to test benchmark

- empty so far

* Fix: Benchmarks

- Fix run_signal_benchmarks
- Add run_signal_benchmarks to main.py

Remove: print statements from convolution in signal.py

* Fix: benchmarks/cb/signal.py

- add () to monitor decorator of perun

* Fix: Rename signal.py to avoid clash with python3.12 signal

- change signal.py to heat_signal.py

* Fix: Adjust array numbers for benchmarking

* Remove: benchmark script from scripts/

* Fix: Benchmarking signal.py and testing signal.py

- Benchmark improved
- removed import pytest from test_signal.py

* Fix: test_signal.py batch convolution with stride

- Stride was not passed as a single value but different values for
  different ranks
- Solution: Do not randomly create stride values but use fixed values

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Fix: test_convolution-stride_large_signal_and_kernel_modes

- Remove torch arrays
- Instead work with np.convolve similar to test without stride

* Fix: Add device for empty torch tensors

- Stride test fails for large arrays
- Error message says, that device does not match
- Due to large stride, potentially empty tensor creation -> add device
  to that tensor created

* Fix: torch_device instead of device

- when empty tensor is called, use torch_device

* Fix: Missed .device to previous commit

* Fix: torch device not accessible

- instead use str(ht_array.device)
- Use signal.device to get correct rank

---------

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* build(deps): bump tj-actions/branch-names from 9.0.1 to 9.0.2 (#1930)

Bumps [tj-actions/branch-names](https://github.com/tj-actions/branch-names) from 9.0.1 to 9.0.2.
- [Release notes](https://github.com/tj-actions/branch-names/releases)
- [Changelog](https://github.com/tj-actions/branch-names/blob/main/HISTORY.md)
- [Commits](https://github.com/tj-actions/branch-names/compare/386e117ea34339627a40843704a60a3bc9359234...5250492686b253f06fa55861556d1027b067aeb5)

---
updated-dependencies:
- dependency-name: tj-actions/branch-names
  dependency-version: 9.0.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump github/codeql-action from 3.29.4 to 3.29.8 (#1933)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.4 to 3.29.8.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/4e828ff8d448a8a6e532957b1811f387a63867e8...76621b61decf072c1cee8dd1ce2d2a82d33c17ed)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.8
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump docker/login-action from 3.4.0 to 3.5.0 (#1934)

Bumps [docker/login-action](https://github.com/docker/login-action) from 3.4.0 to 3.5.0.
- [Release notes](https://github.com/docker/login-action/releases)
- [Commits](https://github.com/docker/login-action/compare/74a5d142397b4f367a81961eba4e8cd7edddf772...184bdaa0721073962dff0199f1fb9940f07167d1)

---
updated-dependencies:
- dependency-name: docker/login-action
  dependency-version: 3.5.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate (#1931)

updates:
- [github.com/pre-commit/mirrors-mypy: v1.17.0 → v1.17.1](https://github.com/pre-commit/mirrors-mypy/compare/v1.17.0...v1.17.1)
- [github.com/astral-sh/ruff-pre-commit: v0.12.5 → v0.12.7](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.5...v0.12.7)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>

* Update CODE_OF_CONDUCT.md

New email for reporting

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* build(deps): bump github/codeql-action from 3.29.8 to 3.29.9 (#1943)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.8 to 3.29.9.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/76621b61decf072c1cee8dd1ce2d2a82d33c17ed...df559355d593797519d70b90fc8edd5db049e7a2)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.9
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump actions/checkout from 4.2.2 to 5.0.0 (#1942)

Bumps [actions/checkout](https://github.com/actions/checkout) from 4.2.2 to 5.0.0.
- [Release notes](https://github.com/actions/checkout/releases)
- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md)
- [Commits](https://github.com/actions/checkout/compare/11bd71901bbe5b1630ceea73d27597364c9af683...08c6903cd8c0fde910a37f88322edcfb5dd907a8)

---
updated-dependencies:
- dependency-name: actions/checkout
  dependency-version: 5.0.0
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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* build(deps): bump korthout/backport-action from 3.2.1 to 3.3.0 (#1944)

Bumps [korthout/backport-action](https://github.com/korthout/backport-action) from 3.2.1 to 3.3.0.
- [Release notes](https://github.com/korthout/backport-action/releases)
- [Commits](https://github.com/korthout/backport-action/compare/0193454f0c5947491d348f33a275c119f30eb736...ca4972adce8039ff995e618f5fc02d1b7961f27a)

---
updated-dependencies:
- dependency-name: korthout/backport-action
  dependency-version: 3.3.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate (#1936)

updates:
- [github.com/pre-commit/pre-commit-hooks: v5.0.0 → v6.0.0](https://github.com/pre-commit/pre-commit-hooks/compare/v5.0.0...v6.0.0)
- [github.com/astral-sh/ruff-pre-commit: v0.12.7 → v0.12.8](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.7...v0.12.8)
- [github.com/shellcheck-py/shellcheck-py: v0.10.0.1 → v0.11.0.1](https://github.com/shellcheck-py/shellcheck-py/compare/v0.10.0.1...v0.11.0.1)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* bugfixes in tests

* set seed in basic test class

* removed manual seeds from most of tests

* Update latest-pytorch-support.yml (#1950)

move to pyproject.toml

* [pre-commit.ci] pre-commit autoupdate (#1949)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.8 → v0.12.9](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.8...v0.12.9)

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Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* First attempt for fit() implementation, corresponding unit tests and some minor corrections in documentation

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* build(deps): bump github/codeql-action from 3.29.9 to 3.29.11

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.9 to 3.29.11.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/df559355d593797519d70b90fc8edd5db049e7a2...3c3833e0f8c1c83d449a7478aa59c036a9165498)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.11
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Bump version to 1.6.0

* Update pytorch image in Dockerfile.release and Dockerfile.source to version

* update coverage, add link to issue search

* add FFT, masked arrays

* build(deps): bump actions/dependency-review-action from 4.7.1 to 4.7.2 (#1956)

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.7.1 to 4.7.2.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](https://github.com/actions/dependency-review-action/compare/da24556b548a50705dd671f47852072ea4c105d9...bc41886e18ea39df68b1b1245f4184881938e050)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.7.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* [pre-commit.ci] pre-commit autoupdate (#1958)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.9 → v0.12.10](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.9...v0.12.10)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Update authors and contributors in CITATION.cff

* fix: typo in release drafter

* Updated Changelog

* changelog highlights

* Update micro version to 0

* Update CHANGELOG.md

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update version.py

* Clean up commented-out code

* post-release fixes

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Updated release workflow notes

* [pre-commit.ci] pre-commit autoupdate (#1962)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.10 → v0.12.11](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.10...v0.12.11)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* add reigh

* build(deps): bump actions/stale from 9.1.0 to 10.0.0

Bumps [actions/stale](https://github.com/actions/stale) from 9.1.0 to 10.0.0.
- [Release notes](https://github.com/actions/stale/releases)
- [Changelog](https://github.com/actions/stale/blob/main/CHANGELOG.md)
- [Commits](https://github.com/actions/stale/compare/5bef64f19d7facfb25b37b414482c7164d639639...3a9db7e6a41a89f618792c92c0e97cc736e1b13f)

---
updated-dependencies:
- dependency-name: actions/stale
  dependency-version: 10.0.0
  dependency-type: direct:production
  update-type: version-update:semver-major
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump actions/github-script from 6.4.1 to 8.0.0

Bumps [actions/github-script](https://github.com/actions/github-script) from 6.4.1 to 8.0.0.
- [Release notes](https://github.com/actions/github-script/releases)
- [Commits](https://github.com/actions/github-script/compare/d7906e4ad0b1822421a7e6a35d5ca353c962f410...ed597411d8f924073f98dfc5c65a23a2325f34cd)

---
updated-dependencies:
- dependency-name: actions/github-script
  dependency-version: 8.0.0
  dependency-type: direct:production
  update-type: version-update:semver-major
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump github/codeql-action from 3.29.11 to 3.30.1

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.11 to 3.30.1.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/3c3833e0f8c1c83d449a7478aa59c036a9165498...f1f6e5f6af878fb37288ce1c627459e94dbf7d01)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.30.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump actions/dependency-review-action from 4.7.2 to 4.7.3

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.7.2 to 4.7.3.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](https://github.com/actions/dependency-review-action/compare/bc41886e18ea39df68b1b1245f4184881938e050...595b5aeba73380359d98a5e087f648dbb0edce1b)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.7.3
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump github/codeql-action from 3.30.1 to 3.30.3 (#1975)

* build(deps): bump step-security/harden-runner from 2.13.0 to 2.13.1 (#1976)

* [pre-commit.ci] pre-commit autoupdate (#1972)

updates:
- [github.com/pre-commit/mirrors-mypy: v1.17.1 → v1.18.1](https://github.com/pre-commit/mirrors-mypy/compare/v1.17.1...v1.18.1)
- [github.com/astral-sh/ruff-pre-commit: v0.12.11 → v0.13.0](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.11...v0.13.0)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump actions/setup-python from 5.6.0 to 6.0.0 (#1977)

Bumps [actions/setup-python](https://github.com/actions/setup-python) from 5.6.0 to 6.0.0.
- [Release notes](https://github.com/actions/setup-python/releases)
- [Commits](https://github.com/actions/setup-python/compare/a26af69be951a213d495a4c3e4e4022e16d87065...e797f83bcb11b83ae66e0230d6156d7c80228e7c)

---
updated-dependencies:
- dependency-name: actions/setup-python
  dependency-version: 6.0.0
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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* Sturdier MPI Check (#1926)

* sturdier mpi check

* GPU_AWARE as relevant global check, checks can depend on version now

* gpu aware compatiblity changes

* wip: communication layer fixes for gpu_aware_mpi

* _moveToCompDevice function

* fix: disabled OpenMPI cuda awareness due to unreliable tests and benchmarks

---------

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* [pre-commit.ci] pre-commit autoupdate (#1980)

updates:
- [github.com/pre-commit/mirrors-mypy: v1.18.1 → v1.18.2](https://github.com/pre-commit/mirrors-mypy/compare/v1.18.1...v1.18.2)
- [github.com/astral-sh/ruff-pre-commit: v0.13.0 → v0.13.1](https://github.com/astral-sh/ruff-pre-commit/compare/v0.13.0...v0.13.1)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.30.3 to 3.30.5 (#1983)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.30.3 to 3.30.5.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/192325c86100d080feab897ff886c34abd4c83a3...3599b3baa15b485a2e49ef411a7a4bb2452e7f93)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.30.5
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump actions/dependency-review-action from 4.7.3 to 4.8.0 (#1982)

* Parallel initialization for k-means (#1754)

* Created a test file mytest.py

* Implementation of parallel initialization

* Refined comments for better readability

* Adjusted according to review comments

* Removed numerical instabilies leading to error in perun test

* added prints for debugging

* Bug fix

* Bug fix

* sturdier mpi check

* GPU_AWARE as relevant global check, checks can depend on version now

* Added Allgatherv method

* Buffer allocation outside loop

* gpu aware compatiblity changes

* wip: communication layer fixes for gpu_aware_mpi

* _moveToCompDevice function

* Adjusted keyword arguments to restore benchmark performance

* Adjusted keyword arguments to restore benchmark performance

* fix: disabled OpenMPI cuda awareness due to unreliable tests and benchmarks

* Test AMD-Fix by adjusting initial oversampling factor

* Automated increase of oversampling factor if chosen too small

* Improved code coverage

* bug fix

* .

* .

* Adjusted docstring

* Adjusted values for keyword arguments in KMedians and KMedoids

---------

Co-authored-by: Akdag <akda_me@sc-030332l.intra.dlr.de>
Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Hoppe <mrhf92@gmail.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.30.5 to 3.30.6 (#1988)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.30.5 to 3.30.6.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/3599b3baa15b485a2e49ef411a7a4bb2452e7f93...64d10c13136e1c5bce3e5fbde8d4906eeaafc885)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.30.6
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
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* build(deps): bump korthout/backport-action from 3.3.0 to 3.4.1 (#1987)

Bumps [korthout/backport-action](https://github.com/korthout/backport-action) from 3.3.0 to 3.4.1.
- [Release notes](https://github.com/korthout/backport-action/releases)
- [Commits](https://github.com/korthout/backport-action/compare/ca4972adce8039ff995e618f5fc02d1b7961f27a...d07416681cab29bf2661702f925f020aaa962997)

---
updated-dependencies:
- dependency-name: korthout/backport-action
  dependency-version: 3.4.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* build(deps): bump actions/stale from 10.0.0 to 10.1.0 (#1985)

Bumps [actions/stale](https://github.com/actions/stale) from 10.0.0 to 10.1.0.
- [Release notes](https://github.com/actions/stale/releases)
- [Changelog](https://github.com/actions/stale/blob/main/CHANGELOG.md)
- [Commits](https://github.com/actions/stale/compare/3a9db7e6a41a89f618792c92c0e97cc736e1b13f...5f858e3efba33a5ca4407a664cc011ad407f2008)

---
updated-dependencies:
- dependency-name: actions/stale
  dependency-version: 10.1.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* build(deps): bump ossf/scorecard-action from 2.4.2 to 2.4.3 (#1986)

Bumps [ossf/scorecard-action](https://github.com/ossf/scorecard-action) from 2.4.2 to 2.4.3.
- [Release notes](https://github.com/ossf/scorecard-action/releases)
- [Changelog](https://github.com/ossf/scorecard-action/blob/main/RELEASE.md)
- [Commits](https://github.com/ossf/scorecard-action/compare/05b42c624433fc40578a4040d5cf5e36ddca8cde...4eaacf0543bb3f2c246792bd56e8cdeffafb205a)

---
updated-dependencies:
- dependency-name: ossf/scorecard-action
  dependency-version: 2.4.3
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* [pre-commit.ci] pre-commit autoupdate (#1984)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.13.1 → v0.13.3](https://github.com/astral-sh/ruff-pre-commit/compare/v0.13.1...v0.13.3)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Skip test_incrementalpca_fit_zarr() if Zarr is not installed

* Fix Zarr test initialization to prevent ContainsGroupError in MPI runs

* Second approach to solving the ContainsGroupError

Previously, the `test_incrementalpca_fit_zarr` unit test failed with a `ContainsGroupError` when using Zarr files in multi-process setups. The issue was caused by passing the `dataset` parameter to `load_zarr()`, which does not expect it and can conflict with the internal Zarr group structure.

This commit updates the `fit()` method to call `load_hdf5()` and `load_zarr()` separately, each with only the parameters they require. The unified `load_data_from_file` approach is kept for the loop, but the dataset argument is no longer passed to `load_zarr()`.

Test modifications that previously tried to manually delete datasets and add MPI barriers have been reverted, as they are no longer needed.

* Third approach to solving the ContainsGroupError

Create the Zarr array directly at the path in the test instead of creating a root group.
This should avoid the ContainsGroupError when load_zarr() expects an array at the given path.

* Another attempt at solving the ContainsGroupError

* Bugs/1990  Fix handling of zarr groups (#1991)

* introduce variable to handle zarr groups

* expand tests

* edit docs

* do not test with float64 on MPS

* files housekeeping on MPS

* load zarr variable from multiple dirs

* fix path reading

* fix import

* expand docs

* set device

* fix dtype on empty ranks, balance output, refactor

* adapt tests

* Apply suggestions from code review

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>

* expand tests

* fix deadlock at split sanitation

* enable dtype setting

* expand tests

---------

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.30.6 to 4.30.9 (#2000)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.30.6 to 4.30.9.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/64d10c13136e1c5bce3e5fbde8d4906eeaafc885...16140ae1a102900babc80a33c44059580f687047)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 4.30.9
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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* build(deps): bump docker/login-action from 3.5.0 to 3.6.0 (#1993)

Bumps [docker/login-action](https://github.com/docker/login-action) from 3.5.0 to 3.6.0.
- [Release notes](https://github.com/docker/login-action/releases)
- [Commits](https://github.com/docker/login-action/compare/184bdaa0721073962dff0199f1fb9940f07167d1...5e57cd118135c172c3672efd75eb46360885c0ef)

---
updated-dependencies:
- dependency-name: docker/login-action
  dependency-version: 3.6.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* build(deps): bump actions/dependency-review-action from 4.8.0 to 4.8.1 (#1992)

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.8.0 to 4.8.1.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](https://github.com/actions/dependency-review-action/compare/56339e523c0409420f6c2c9a2f4292bbb3c07dd3...40c09b7dc99638e5ddb0bfd91c1673effc064d8a)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.8.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
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* Remove Zarr support for `IncrementalPCA` from this branch

* build(deps): bump actions/upload-artifact from 4.6.2 to 5.0.0 (#2009)

Bumps [actions/upload-artifact](https://github.com/actions/upload-artifact) from 4.6.2 to 5.0.0.
- [Release notes](https://github.com/actions/upload-artifact/releases)
- [Commits](https://github.com/actions/upload-artifact/compare/ea165f8d65b6e75b540449e92b4886f43607fa02...330a01c490aca151604b8cf639adc76d48f6c5d4)

---
updated-dependencies:
- dependency-name: actions/upload-artifact
  dependency-version: 5.0.0
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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* build(deps): bump github/codeql-action from 4.30.9 to 4.31.0 (#2008)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 4.30.9 to 4.31.0.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/16140ae1a102900babc80a33c44059580f687047...4e94bd11f71e507f7f87df81788dff88d1dacbfb)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 4.31.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
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Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* [pre-commit.ci] pre-commit autoupdate (#1995)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.13.3 → v0.14.1](https://github.com/astral-sh/ruff-pre-commit/compare/v0.13.3...v0.14.1)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* [pre-commit.ci] pre-commit autoupdate (#2010)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.14.1 → v0.14.2](https://github.com/astral-sh/ruff-pre-commit/compare/v0.14.1...v0.14.2)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* Rework ipca test methods for clarity and code coverage

* followed JPs suggestion

* added tests

* ...

* ...

* add additional tests

* removed dead code

* added continuous benchmarks

* fixed error

* fixed error attempt 2

* build(deps): bump github/codeql-action from 4.31.0 to 4.31.2 (#2015)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 4.31.0 to 4.31.2.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](https://github.com/github/codeql-action/compare/4e94bd11f71e507f7f87df81788dff88d1dacbfb...0499de31b99561a6d14a36a5f662c2a54f91beee)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 4.31.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump docker/setup-qemu-action from 3.6.0 to 3.7.0 (#2021)

Bumps [docker/setup-qemu-action](https://github.com/docker/setup-qemu-action) from 3.6.0 to 3.7.0.
- [Release notes](https://github.com/docker/setup-qemu-action/releases)
- [Commits](https://github.com/docker/setup-qemu-action/compare/29109295f81e9208d7d86ff1c6c12d2833863392...c7c53464625b32c7a7e944ae62b3e17d2b600130)

---
updated-dependencies:
- dependency-name: docker/setup-qemu-action
  dependency-version: 3.7.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* build(deps): bump step-security/harden-runner from 2.13.1 to 2.13.2 (#2022)

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.13.1 to 2.13.2.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](https://github.com/step-security/harden-runner/compare/f4a75cfd619ee5ce8d5b864b0d183aff3c69b55a...95d9a5deda9de15063e7595e9719c11c38c90ae2)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.13.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* [pre-commit.ci] pre-commit autoupdate (#2017)

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* [pre-commit.ci] pre-commit autoupdate (#2023)

updates:
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Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.8.1 to 4.8.2.
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* integration of reigh into SpectralClustering as new default method (replacing Lanczos)

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* [pre-commit.ci] auto fixes from pre-commit.com hooks

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* Implement custom MPI_MINMAX reduction for ptp to minimize communication

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* [pre-commit.ci] pre-commit autoupdate (#2059)

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updates:
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* make the code fit for maintenance/usage by non-mathematicians: added clarification on SVD-rank/Matrix-rank vs MPI-rank

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JuanPedroGHM added a commit that referenced this pull request Jan 9, 2026
* Heat 1.6.0 - Release (#1957)

* Update heat/core/io.py

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* debugging

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* further work on eigh

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* flake8

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* Apply suggestions from code review

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* minor modifications due to Copilot's Review

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* reformatting

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* tests for SVD completed

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* added variable GPU_AWARE_MPI

* added MPICH

* changed method info into __repr__

* moved __repr__ to printing module

* removed dead code

* restructuring of tests

* added further test to DMDc

* small typo corrected

* adapted tolerances for last test; errors grow w.r.t. timesteps (is in the nature of DMD), so largest number of procs determines tolerance

* Update test_dmd.py

lower tolerances for the AMD-runner

* dummy commit since sth was wrong with pre-commit

* corrected tests

* debugging of tests

* Remove unnecessary contiguous calls (#1831)

* removed contiguous calls from manipulations.py

* removed the contiguous calls from linalg/qr.py

* removed unnecessary contiguous call in factories.py

* removed some more unnecessary contiguous calls

* reinstate contiguous() calls if needed

* removed the contiguous calls from linalg/qr.py

* reinstate setting Q_buf to Q_curr

---------

Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.28.13 to 3.28.15

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.13 to 3.28.15.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@1b549b9...45775bd)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.15
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* removed debugging prints that were forgotten before merging into main

* subTest'ified the zarr tests, added some strange exception handling that is likely necessary to accomodate zarr-versions compatible with Python 3.10

* small bug fix

* bugfix in eigh

* removed unneccesary numpy import

* changed representation string according to review

* debugging of memory consumption in Polar

* bug fixes for devices in polar and eigh

* bugfixes for certain device constellations

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update README.md

* Support latest PyTorch release

* Make unit tests compatible with NumPy 2.x (#1826)

* changed row_stack to vstack for numpy >= 2.0.0

* Changed the numpy version check to the numpy suggested method

* Changed numpy version requirement

* fixed DeprecationWarning from missing axes for np.fft.fftn

* Fixed one __array_wrap__ DeprecationWarning

* Stopped testing cross of vector axes with 2 elements for numpy >= 2.0

* changed requirements to avoid errors with numpy >= 2

* Using Python 3.10 for RecievePR

* changed python-version to '3.10' because 3.10 was interpreted as 3.1

* changed ci.yaml to exclude python 3.9

* Fixed two DeprecationWarnings of np.cross() by adding a third dimension with zeros

* Fixed the last np.cross() warning by performing the operation manually

* changed dtype of np.cross() to float32

---------

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump actions/setup-python from 5.5.0 to 5.6.0 (#1863)

* build(deps): bump actions/setup-python from 5.5.0 to 5.6.0

Bumps [actions/setup-python](https://github.com/actions/setup-python) from 5.5.0 to 5.6.0.
- [Release notes](https://github.com/actions/setup-python/releases)
- [Commits](actions/setup-python@8d9ed9a...a26af69)

---
updated-dependencies:
- dependency-name: actions/setup-python
  dependency-version: 5.6.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* Debugging

---------

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump docker/build-push-action from 6.15.0 to 6.16.0 (#1860)

Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 6.15.0 to 6.16.0.
- [Release notes](https://github.com/docker/build-push-action/releases)
- [Commits](docker/build-push-action@471d1dc...14487ce)

---
updated-dependencies:
- dependency-name: docker/build-push-action
  dependency-version: 6.16.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump step-security/harden-runner from 2.11.1 to 2.12.0 (#1861)

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.11.1 to 2.12.0.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@c6295a6...0634a26)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.28.15 to 3.28.17 (#1866)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.15 to 3.28.17.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@45775bd...60168ef)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.17
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump actions/dependency-review-action from 4.6.0 to 4.7.0

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.6.0 to 4.7.0.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](actions/dependency-review-action@ce3cf95...38ecb5b)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.7.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* added benchmarks for eigh, svd, and rsvd

* dummy commit to trigger benchmark runs

* Support latest PyTorch release

* changed torchvision version to <0.22.1

* retrigger checks

* build(deps): bump github/codeql-action from 3.28.17 to 3.28.18

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.17 to 3.28.18.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@60168ef...ff0a06e)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.18
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump docker/build-push-action from 6.16.0 to 6.17.0

Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 6.16.0 to 6.17.0.
- [Release notes](https://github.com/docker/build-push-action/releases)
- [Commits](docker/build-push-action@14487ce...1dc7386)

---
updated-dependencies:
- dependency-name: docker/build-push-action
  dependency-version: 6.17.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump actions/dependency-review-action from 4.7.0 to 4.7.1

Bumps [actions/dependency-review-action](https://github.com/actions/dependency-review-action) from 4.7.0 to 4.7.1.
- [Release notes](https://github.com/actions/dependency-review-action/releases)
- [Commits](actions/dependency-review-action@38ecb5b...da24556)

---
updated-dependencies:
- dependency-name: actions/dependency-review-action
  dependency-version: 4.7.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* RTD Notebook gallery and profiling notebook with perun. (#1867)

* docs: notebook gallery in rtd

* docs: missing makefiles

* docs: reverted changes to gitignore

* haicore notebook setup

* ompi in readthedocs build

* correct apt package for mpi

* docs: replaced small bodies dataset with digits from sklearn (boring, but easier to access on the long term)

* perun notebook

* wrong cell type

* added pytorch 2.7 to ci workflow

* docs: post practice run fixes

* notebook thumbnails, formatting and corrections for tutorial

* forgot to uncomment autoapi

* build(deps): bump github/codeql-action from 3.28.18 to 3.28.19 (#1881)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.18 to 3.28.19.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@ff0a06e...fca7ace)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.28.19
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump docker/build-push-action from 6.17.0 to 6.18.0 (#1877)

Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 6.17.0 to 6.18.0.
- [Release notes](https://github.com/docker/build-push-action/releases)
- [Commits](docker/build-push-action@1dc7386...2634353)

---
updated-dependencies:
- dependency-name: docker/build-push-action
  dependency-version: 6.18.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump ossf/scorecard-action from 2.4.1 to 2.4.2 (#1878)

Bumps [ossf/scorecard-action](https://github.com/ossf/scorecard-action) from 2.4.1 to 2.4.2.
- [Release notes](https://github.com/ossf/scorecard-action/releases)
- [Changelog](https://github.com/ossf/scorecard-action/blob/main/RELEASE.md)
- [Commits](ossf/scorecard-action@f49aabe...05b42c6)

---
updated-dependencies:
- dependency-name: ossf/scorecard-action
  dependency-version: 2.4.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump step-security/harden-runner from 2.12.0 to 2.12.1

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.0 to 2.12.1.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@0634a26...002fdce)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump github/codeql-action from 3.28.19 to 3.29.0

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.28.19 to 3.29.0.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@fca7ace...ce28f5b)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* Add special methods for operations in NumPy

* add tests for NumPy related array methods

* fix variable name

* Exit installation if conda environment cannot be activated (#1880)

* exit 0_setup_conda.sh if environment cannot be activated

otherwise the script might install into the base environment

* exit 0_setup_pip.sh if environment cannot be activated

---------

Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>

* fix item access

* add contiguous call again

* same as before

* [pre-commit.ci] pre-commit autoupdate (#1894)

updates:
- [github.com/PyCQA/flake8: 7.2.0 → 7.3.0](PyCQA/flake8@7.2.0...7.3.0)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* bugfix in rSVD for the case the rank is smaller than number of processes

* build(deps): bump github/codeql-action from 3.29.0 to 3.29.1

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.0 to 3.29.1.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@ce28f5b...39edc49)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* resolved bug in rSVD, actualle one-process QR

* Support PyTorch 2.7.1 (#1883)

* Support latest PyTorch release

* Update ci.yaml

pytorch: add v2.2, drop v1.11

* debugging test_lasso

* Support latest PyTorch release

* Update bug_report.yml

Add latest versions for options

* update torchvision

* do not test latest torch in matrix

* pin zarr version

* remove dead code

* pin zarr to 3.0.8

* add back latest pytorch to matrix

* edit PR body

* Update ci.yaml

---------

Co-authored-by: ClaudiaComito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: Michael Tarnawa <m.tarnawa@fz-juelich.de>
Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1

Bumps [docker/setup-buildx-action](https://github.com/docker/setup-buildx-action) from 3.10.0 to 3.11.1.
- [Release notes](https://github.com/docker/setup-buildx-action/releases)
- [Commits](docker/setup-buildx-action@b5ca514...e468171)

---
updated-dependencies:
- dependency-name: docker/setup-buildx-action
  dependency-version: 3.11.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* Update polar.py

* Revert "build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1" (#1908)

* support torch_function (#1895)

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Features/1845 Update citations  (#1846)

* Update README.md: added citation possibilities

* Update README.md: link to ZENODO

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update README.md

* Update README.md

* Update README.md

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Transition to pyproject.toml, Ruff, and mypy (#1832)

* Support latest PyTorch release

* Support latest PyTorch release

* retrigger checks

* wip: toml, ruff, mypy and cli

* ci: better mypy error filter (down to 3041)

* ci: mypy in list of dev deps

* ci: skiping mypy for now

* dependency specification

* missing argument description for permute method

* fixed dynamic version in pyproject.toml

* properly skipping mypy in the pre-commit.ci

* fixed dependencies, removed references to python 3.9, added python 3.13

* doc -> docs

* fixed tests

* cli tests

* Update .github/ISSUE_TEMPLATE/bug_report.yml

Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* removed problematic pytorch version?!

* consistency is important

* did not work

* vulnerabitliy removal, other changes to toml

* It's not working :(

* fixing tests

* Update .pre-commit-config.yaml

* fix: cli does not change the default device

* fix: support for older pytorch version on the cli, limit zarr package version

* Update pytorch exclude with py-3.13

---------

Co-authored-by: ClaudiaComito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: Marc-Jindra <m.jindra@fz-juelich.de>
Co-authored-by: Michael Tarnawa <18899420+mtar@users.noreply.github.com>

* build(deps): bump docker/setup-buildx-action from 3.10.0 to 3.11.1 (#1911)

Bumps [docker/setup-buildx-action](https://github.com/docker/setup-buildx-action) from 3.10.0 to 3.11.1.
- [Release notes](https://github.com/docker/setup-buildx-action/releases)
- [Commits](docker/setup-buildx-action@b5ca514...e468171)

---
updated-dependencies:
- dependency-name: docker/setup-buildx-action
  dependency-version: 3.11.1
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump github/codeql-action from 3.29.1 to 3.29.2 (#1910)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.1 to 3.29.2.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@39edc49...181d5ee)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* build(deps): bump step-security/harden-runner from 2.12.1 to 2.12.2 (#1909)

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.1 to 2.12.2.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@002fdce...6c439dc)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.12.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Apply suggestions from code review

Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* took review into account

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* pre-commit stuff

* [pre-commit.ci] pre-commit autoupdate (#1912)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.11.13 → v0.12.3](astral-sh/ruff-pre-commit@v0.11.13...v0.12.3)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* Updated release_prep.yml to incorporate up-to-date Dockerfile Pytorch versions (#1903)

* Create update_docker.yml

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update release-prep.yml

Added the update functionality of the Dockerfile.source and Dockerfile.release Pytorch Image versions.

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Removed update_docker.yml since the functionality was moved to release prep

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* [StepSecurity] Apply security best practices (#1891)

* [StepSecurity] Apply security best practices

Signed-off-by: StepSecurity Bot <bot@stepsecurity.io>

* Test with shellcheck-py

* Update .pre-commit-config.yaml

* shellcheck updates

* Update build_and_push.sh

* Update increment_version.sh

* Update increment_version.sh

* Update build_and_push.sh

* Update test_nvidia_image_haicore_enroot.sh

* Update test_nvidia_image_haicore_enroot.sh

* Update build_and_push.sh

* Update 0_setup_pip.sh

---------

Signed-off-by: StepSecurity Bot <bot@stepsecurity.io>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* build(deps): bump korthout/backport-action from 3.2.0 to 3.2.1

Bumps [korthout/backport-action](https://github.com/korthout/backport-action) from 3.2.0 to 3.2.1.
- [Release notes](https://github.com/korthout/backport-action/releases)
- [Commits](korthout/backport-action@436145e...0193454)

---
updated-dependencies:
- dependency-name: korthout/backport-action
  dependency-version: 3.2.1
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>

* build(deps): bump step-security/harden-runner from 2.12.1 to 2.13.0

Bumps [step-security/harden-runner](https://github.com/step-security/harden-runner) from 2.12.1 to 2.13.0.
- [Release notes](https://github.com/step-security/harden-runner/releases)
- [Commits](step-security/harden-runner@v2.12.1...ec9f2d5)

---
updated-dependencies:
- dependency-name: step-security/harden-runner
  dependency-version: 2.13.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/pre-commit/mirrors-mypy: v1.16.1 → v1.17.0](pre-commit/mirrors-mypy@v1.16.1...v1.17.0)
- [github.com/astral-sh/ruff-pre-commit: v0.12.3 → v0.12.4](astral-sh/ruff-pre-commit@v0.12.3...v0.12.4)
- [github.com/gitleaks/gitleaks: v8.16.3 → v8.28.0](gitleaks/gitleaks@v8.16.3...v8.28.0)

* Fix ValueError in save_zarr by conditional handling of chunks argument

Fixes error when calling zarr.create by only passing chunks as a list if not None.

* Unfix zarr version in pyproject.toml to test CI job `test_amd`

* Add note in docstring of save_zarr()

* build(deps): bump tj-actions/branch-names from 8.2.1 to 9.0.1

Bumps [tj-actions/branch-names](https://github.com/tj-actions/branch-names) from 8.2.1 to 9.0.1.
- [Release notes](https://github.com/tj-actions/branch-names/releases)
- [Changelog](https://github.com/tj-actions/branch-names/blob/main/HISTORY.md)
- [Commits](tj-actions/branch-names@dde14ac...386e117)

---
updated-dependencies:
- dependency-name: tj-actions/branch-names
  dependency-version: 9.0.1
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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* build(deps): bump github/codeql-action from 3.29.2 to 3.29.4

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.2 to 3.29.4.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@181d5ee...4e828ff)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.4
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Setuptools build fix on pytproject.toml (#1919)

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.4 → v0.12.5](astral-sh/ruff-pre-commit@v0.12.4...v0.12.5)

* Stride argument for convolution (#1865)

* Add: enable stride as input option for convolution

Belongs to Issue 1755

Changes include
- stride as optional input
- stride in docstring (except for output dim computations and as
  example)
- raise ValueError for incorrect option (stride < 1) and combinations (stride >
  1 and mode = 'same')

* Add: Failing stride tests in test_signal.py

- Added correct results for odd and even kernel
- Added calls for convolution with stride=2 except with exception for mode `same`
- Covers is_mps true and false
- Stopped at tests for large distributed signals

* Add: Pass stride tests for standard cases

Belongs to Issue 1755

- edge cases and batch-processing not yet implemented or tested
- Fix test error
- Implement stride to pass tests
- Write convolution_stride.py script for debugging purposes, will be
  removed later

* Add: test for large signals with stride

Belongs to Issue 1755
- passes

* Add: Test cases until batch

Belongs to issue 1755
- Passes tests

* Add: Failing tests for batch convolution with stride

Belongs to Issue 1755

* Add: batch processing with stride

Belongs to Issue 1755
- Added stride to conv1D call in batch_convolution
- Passes tests

* Remove: Remove script to test convolution with stride

* Update: Docstring of convolution

Belongs to Issue 1755
- Correct stride information
- Add examples

* Fail: Tests fail for mpirun -n3 ...

- Issue with halo size
- Problem marked in code
- Not solved

* Update: Split stride tests

- Different configurations in different tests functions
- If process number == 1: all pass
- If multiple process < 3 (because tested only then), 5 fail
- This needs to be fixed, likely fails due to wrong halo in presence of
  stride

* Add: Enable stride on distributed arrays but not kernels

Adjust signal on each rank such that it starts with the next kernel
according to stride
- Added the compution of starting values for each rank
- Avoid doubles for even and odd kernels

Halo size computation is independent of stride

Added a script for debugging, will be removed

Ideas: generalize it for stride 1 (should work out of the box)

To do: Adapt for distributed kernels

* Add: Distributed Kernels and optimized start index computation

Optimized start index computation:
- Remove global index array
- Use lshap map and simple modulo operation only

Distributed kernels
- Any stride > 1 is a subset of the solution for stride 1
- Not the most efficient but at least functional

* Fix: Improve test coverage

Still missing
- Cuda code bits
- else statement beginning line 229

* Delete: conv_test.py

Test script no longer needed

* Add: Add benchmarks for signal.py

* Add: script to test benchmark

- empty so far

* Fix: Benchmarks

- Fix run_signal_benchmarks
- Add run_signal_benchmarks to main.py

Remove: print statements from convolution in signal.py

* Fix: benchmarks/cb/signal.py

- add () to monitor decorator of perun

* Fix: Rename signal.py to avoid clash with python3.12 signal

- change signal.py to heat_signal.py

* Fix: Adjust array numbers for benchmarking

* Remove: benchmark script from scripts/

* Fix: Benchmarking signal.py and testing signal.py

- Benchmark improved
- removed import pytest from test_signal.py

* Fix: test_signal.py batch convolution with stride

- Stride was not passed as a single value but different values for
  different ranks
- Solution: Do not randomly create stride values but use fixed values

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Fix: test_convolution-stride_large_signal_and_kernel_modes

- Remove torch arrays
- Instead work with np.convolve similar to test without stride

* Fix: Add device for empty torch tensors

- Stride test fails for large arrays
- Error message says, that device does not match
- Due to large stride, potentially empty tensor creation -> add device
  to that tensor created

* Fix: torch_device instead of device

- when empty tensor is called, use torch_device

* Fix: Missed .device to previous commit

* Fix: torch device not accessible

- instead use str(ht_array.device)
- Use signal.device to get correct rank

---------

Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* build(deps): bump tj-actions/branch-names from 9.0.1 to 9.0.2 (#1930)

Bumps [tj-actions/branch-names](https://github.com/tj-actions/branch-names) from 9.0.1 to 9.0.2.
- [Release notes](https://github.com/tj-actions/branch-names/releases)
- [Changelog](https://github.com/tj-actions/branch-names/blob/main/HISTORY.md)
- [Commits](tj-actions/branch-names@386e117...5250492)

---
updated-dependencies:
- dependency-name: tj-actions/branch-names
  dependency-version: 9.0.2
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump github/codeql-action from 3.29.4 to 3.29.8 (#1933)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.4 to 3.29.8.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@4e828ff...76621b6)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.8
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* build(deps): bump docker/login-action from 3.4.0 to 3.5.0 (#1934)

Bumps [docker/login-action](https://github.com/docker/login-action) from 3.4.0 to 3.5.0.
- [Release notes](https://github.com/docker/login-action/releases)
- [Commits](docker/login-action@74a5d14...184bdaa)

---
updated-dependencies:
- dependency-name: docker/login-action
  dependency-version: 3.5.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate (#1931)

updates:
- [github.com/pre-commit/mirrors-mypy: v1.17.0 → v1.17.1](pre-commit/mirrors-mypy@v1.17.0...v1.17.1)
- [github.com/astral-sh/ruff-pre-commit: v0.12.5 → v0.12.7](astral-sh/ruff-pre-commit@v0.12.5...v0.12.7)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>

* Update CODE_OF_CONDUCT.md

New email for reporting

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* build(deps): bump github/codeql-action from 3.29.8 to 3.29.9 (#1943)

Bumps [github/codeql-action](https://github.com/github/codeql-action) from 3.29.8 to 3.29.9.
- [Release notes](https://github.com/github/codeql-action/releases)
- [Changelog](https://github.com/github/codeql-action/blob/main/CHANGELOG.md)
- [Commits](github/codeql-action@76621b6...df55935)

---
updated-dependencies:
- dependency-name: github/codeql-action
  dependency-version: 3.29.9
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
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* build(deps): bump actions/checkout from 4.2.2 to 5.0.0 (#1942)

Bumps [actions/checkout](https://github.com/actions/checkout) from 4.2.2 to 5.0.0.
- [Release notes](https://github.com/actions/checkout/releases)
- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md)
- [Commits](actions/checkout@11bd719...08c6903)

---
updated-dependencies:
- dependency-name: actions/checkout
  dependency-version: 5.0.0
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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* build(deps): bump korthout/backport-action from 3.2.1 to 3.3.0 (#1944)

Bumps [korthout/backport-action](https://github.com/korthout/backport-action) from 3.2.1 to 3.3.0.
- [Release notes](https://github.com/korthout/backport-action/releases)
- [Commits](korthout/backport-action@0193454...ca4972a)

---
updated-dependencies:
- dependency-name: korthout/backport-action
  dependency-version: 3.3.0
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* [pre-commit.ci] pre-commit autoupdate (#1936)

updates:
- [github.com/pre-commit/pre-commit-hooks: v5.0.0 → v6.0.0](pre-commit/pre-commit-hooks@v5.0.0...v6.0.0)
- [github.com/astral-sh/ruff-pre-commit: v0.12.7 → v0.12.8](astral-sh/ruff-pre-commit@v0.12.7...v0.12.8)
- [github.com/shellcheck-py/shellcheck-py: v0.10.0.1 → v0.11.0.1](shellcheck-py/shellcheck-py@v0.10.0.1...v0.11.0.1)

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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* Update latest-pytorch-support.yml (#1950)

move to pyproject.toml

* [pre-commit.ci] pre-commit autoupdate (#1949)

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.12.8 → v0.12.9](astral-sh/ruff-pre-commit@v0.12.8...v0.12.9)

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* Bump version to 1.6.0

* Update pytorch image in Dockerfile.release and Dockerfile.source to version

* update coverage, add link to issue search

* add FFT, masked arrays

* Update authors and contributors in CITATION.cff

* fix: typo in release drafter

* Updated Changelog

* changelog highlights

* Update micro version to 0

* Update CHANGELOG.md

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

---------

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Co-authored-by: jolemse <35252911+jolemse@users.noreply.github.com>
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Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
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* Sturdier MPI Check (#1926) (#1979)

* sturdier mpi check

* GPU_AWARE as relevant global check, checks can depend on version now

* gpu aware compatiblity changes

* wip: communication layer fixes for gpu_aware_mpi

* _moveToCompDevice function

* fix: disabled OpenMPI cuda awareness due to unreliable tests and benchmarks

---------



(cherry picked from commit 3637662)

Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Fabian Hoppe <112093564+mrfh92@users.noreply.github.com>
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* Bugs/1990  Fix handling of zarr groups (#1991) (#1999)

* introduce variable to handle zarr groups

* expand tests

* edit docs

* do not test with float64 on MPS

* files housekeeping on MPS

* load zarr variable from multiple dirs

* fix path reading

* fix import

* expand docs

* set device

* fix dtype on empty ranks, balance output, refactor

* adapt tests

* Apply suggestions from code review



* expand tests

* fix deadlock at split sanitation

* enable dtype setting

* expand tests

---------


(cherry picked from commit dc4bd1c)

Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>

* Set correct dtype when loading and saving hdf5 (#2014) (#2024)

* fixed load_hdf5

* fixed save_hdf5

* fixed different behavior in tests

* test torch dtype for save_hdf5

---------


(cherry picked from commit 678cd47)

Co-authored-by: Marc-Jindra <m.jindra@fz-juelich.de>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Supporting negative indices for flip operations (#2030) (#2050)

* Converting negative indices

* use sanitize_axis

* Added tests

* edit docs

---------


(cherry picked from commit 3c0bc27)

Co-authored-by: Marc-Jindra <m.jindra@fz-juelich.de>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Bump version to 1.7.0

* Update pytorch image in Dockerfile.release and Dockerfile.source to version

* prep for 1.7.0

* Add device parameter to QR output arrays (#2051)

Update QR decomposition to include device parameter for R and Q arrays.

(cherry picked from commit bd5df7c)

Co-authored-by: Giovanni Pederiva <g.pederiva@fz-juelich.de>
Co-authored-by: Claudia Comito <39374113+ClaudiaComito@users.noreply.github.com>

* Handling of unknown MPI Libraries (#2032) (#2060)

* fix: Added 'other' as option for mpi library

* fix: corrected parastation configuration

* Update heat/core/_config.py



---------


(cherry picked from commit 50080e0)

Co-authored-by: Juan Pedro Gutiérrez Hermosillo Muriedas <juanpedroghm@gmail.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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* changelog

* Update bug_report.yml

* final changelog, citation and readme

* fix: removed p3.14 tests

* fix: dev version number

---------

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