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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.
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Updated dependencies in the pyproject.toml