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Toml change#31

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toml_change
Aug 13, 2025
Merged

Toml change#31
cote3804 merged 28 commits intomainfrom
toml_change

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Updated dependencies in the pyproject.toml

dependabot bot and others added 28 commits June 23, 2025 08:45
Bumps [typing-extensions](https://github.com/python/typing_extensions) from 4.13.2 to 4.14.0.
- [Release notes](https://github.com/python/typing_extensions/releases)
- [Changelog](https://github.com/python/typing_extensions/blob/main/CHANGELOG.md)
- [Commits](python/typing_extensions@4.13.2...4.14.0)

---
updated-dependencies:
- dependency-name: typing-extensions
  dependency-version: 4.14.0
  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>
Bumps [pytest-cov](https://github.com/pytest-dev/pytest-cov) from 6.1.1 to 6.2.1.
- [Changelog](https://github.com/pytest-dev/pytest-cov/blob/master/CHANGELOG.rst)
- [Commits](pytest-dev/pytest-cov@v6.1.1...v6.2.1)

---
updated-dependencies:
- dependency-name: pytest-cov
  dependency-version: 6.2.1
  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>
Bumps [ipython](https://github.com/ipython/ipython) from 8.34.0 to 8.37.0.
- [Release notes](https://github.com/ipython/ipython/releases)
- [Commits](ipython/ipython@8.34.0...8.37.0)

---
updated-dependencies:
- dependency-name: ipython
  dependency-version: 8.37.0
  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>
…ject#1230)

Updates the requirements on [setuptools](https://github.com/pypa/setuptools) to permit the latest version.
- [Release notes](https://github.com/pypa/setuptools/releases)
- [Changelog](https://github.com/pypa/setuptools/blob/main/NEWS.rst)
- [Commits](pypa/setuptools@v42.0.0...v80.9.0)

---
updated-dependencies:
- dependency-name: setuptools
  dependency-version: 80.9.0
  dependency-type: direct:production
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [calorine](https://gitlab.com/materials-modeling/calorine) from 3.0 to 3.1.
- [Release notes](https://gitlab.com/materials-modeling/calorine/tags)
- [Commits](https://gitlab.com/materials-modeling/calorine/compare/3.0...3.1)

---
updated-dependencies:
- dependency-name: calorine
  dependency-version: '3.1'
  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>
Bumps [pytest](https://github.com/pytest-dev/pytest) from 8.3.5 to 8.4.1.
- [Release notes](https://github.com/pytest-dev/pytest/releases)
- [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst)
- [Commits](pytest-dev/pytest@8.3.5...8.4.1)

---
updated-dependencies:
- dependency-name: pytest
  dependency-version: 8.4.1
  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>
---
updated-dependencies:
- dependency-name: pymatgen
  dependency-version: 2025.6.14
  dependency-type: direct:production
  update-type: version-update:semver-major
...

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
---
updated-dependencies:
- dependency-name: click
  dependency-version: 8.2.1
  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>
---
updated-dependencies:
- dependency-name: mace-torch
  dependency-version: 0.3.13
  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>
---
updated-dependencies:
- dependency-name: pydantic
  dependency-version: 2.11.7
  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>
---
updated-dependencies:
- dependency-name: jobflow
  dependency-version: 0.2.0
  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>
---
updated-dependencies:
- dependency-name: pytest-mock
  dependency-version: 3.14.1
  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>
---
updated-dependencies:
- dependency-name: jupyterlab
  dependency-version: 4.4.4
  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>
---
updated-dependencies:
- dependency-name: matgl
  dependency-version: 1.2.7
  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>
Bumps [numpydoc](https://github.com/numpy/numpydoc) from 1.8.0 to 1.9.0.
- [Release notes](https://github.com/numpy/numpydoc/releases)
- [Changelog](https://github.com/numpy/numpydoc/blob/main/RELEASE.rst)
- [Commits](numpy/numpydoc@v1.8.0...v1.9.0)

---
updated-dependencies:
- dependency-name: numpydoc
  dependency-version: 1.9.0
  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>
Bumps [custodian](https://github.com/materialsproject/custodian) from 2025.4.14 to 2025.5.12.
- [Release notes](https://github.com/materialsproject/custodian/releases)
- [Changelog](https://github.com/materialsproject/custodian/blob/master/docs/changelog.md)
- [Commits](materialsproject/custodian@v2025.4.14...v2025.5.12)

---
updated-dependencies:
- dependency-name: custodian
  dependency-version: 2025.5.12
  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>
Bumps [typing-extensions](https://github.com/python/typing_extensions) from 4.14.0 to 4.14.1.
- [Release notes](https://github.com/python/typing_extensions/releases)
- [Changelog](https://github.com/python/typing_extensions/blob/main/CHANGELOG.md)
- [Commits](python/typing_extensions@4.14.0...4.14.1)

---
updated-dependencies:
- dependency-name: typing-extensions
  dependency-version: 4.14.1
  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>
Bumps [pydantic-settings](https://github.com/pydantic/pydantic-settings) from 2.9.1 to 2.10.1.
- [Release notes](https://github.com/pydantic/pydantic-settings/releases)
- [Commits](pydantic/pydantic-settings@v2.9.1...2.10.1)

---
updated-dependencies:
- dependency-name: pydantic-settings
  dependency-version: 2.10.1
  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>
* Update README.md

* Update README.md

* Update citation.cff
Co-authored-by: J. George <JaGeo@users.noreply.github.com>
Bumps [jupyterlab](https://github.com/jupyterlab/jupyterlab) from 4.4.4 to 4.4.5.
- [Release notes](https://github.com/jupyterlab/jupyterlab/releases)
- [Changelog](https://github.com/jupyterlab/jupyterlab/blob/main/RELEASE.md)
- [Commits](https://github.com/jupyterlab/jupyterlab/compare/@jupyterlab/lsp@4.4.4...@jupyterlab/lsp@4.4.5)

---
updated-dependencies:
- dependency-name: jupyterlab
  dependency-version: 4.4.5
  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>
* Close materialsproject#1254: Ensure ASE NPT MD runs correctly transform structure to upper triangular matrix
* Close materialsproject#1249: Default MatPES flow reflects flow used in paper
* Close materialsproject#1252: Openff tests use consistent values of the atomic masses
* Add NEB and ApproxNEB jobs and workflows
* Supports VASP, ASE, and ML forcefields
…aterialsproject#1103)

* Update CODE_OF_CONDUCT.md in accordance with MP Foundation recommendation
Currently, it does nothing as noted in materialsproject#959. The better PR would be to make it work, but we shouldn't have an unused setting around since that will confused users more.
@cote3804 cote3804 merged commit a49e375 into main Aug 13, 2025
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@cote3804 cote3804 deleted the toml_change branch August 13, 2025 12:52
@cote3804 cote3804 restored the toml_change branch August 13, 2025 12:54
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