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dependabot[bot]github-actions[bot]jan-janssen
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Bump ase from 3.24.0 to 3.25.0 (#454)
* Bump ase from 3.24.0 to 3.25.0 Bumps [ase](https://gitlab.com/ase/ase) from 3.24.0 to 3.25.0. - [Changelog](https://gitlab.com/ase/ase/blob/master/CHANGELOG.rst) - [Commits](https://gitlab.com/ase/ase/compare/3.24.0...3.25.0) --- updated-dependencies: - dependency-name: ase dependency-version: 3.25.0 dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com> * [dependabot skip] Update environment * Update environment-docs.yml * Update environment.yml * Update pyproject.toml * Update environment-lammps.yml * Update environment-docs.yml * Update environment.yml * Update pyproject.toml * Update environment.yml * Update environment-notebooks.yml * Update environment-docs.yml * Update environment.yml * Update pyproject.toml * Update environment.yml --------- Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> Co-authored-by: Jan Janssen <jan-janssen@users.noreply.github.com>
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.ci_support/environment-docs.yml

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@@ -6,18 +6,18 @@ dependencies:
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- sphinx_rtd_theme
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- myst-parser
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- numpy
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- ase =3.24.0
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- ase =3.25.0
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- coverage
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- numpy =1.26.3
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- scipy =1.15.0
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- spglib =2.6.0
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- phonopy =2.38.0
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- structuretoolkit =0.0.29
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- structuretoolkit =0.0.32
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- seekpath =2.1.0
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- lammps =2024.06.27
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- pandas =2.2.3
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- pylammpsmpi =0.2.32
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- jinja2 =3.1.6
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- jupyter-book =1.0.0
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- pyiron_lammps =0.4.0
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- pyiron_vasp =0.2.4
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- pyiron_lammps =0.4.1
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- pyiron_vasp =0.2.5

.ci_support/environment-lammps.yml

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- jinja2 =3.1.6
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- iprpy-data =2023.07.25
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- dynaphopy =1.17.16
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- pyiron_lammps =0.4.0
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- pyiron_lammps =0.4.1

.ci_support/environment-notebooks.yml

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- pylammpsmpi =0.2.31
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- jinja2 =3.1.6
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- dynaphopy =1.17.16
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- pyiron_lammps =0.4.0
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- pyiron_lammps =0.4.1

.ci_support/environment.yml

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channels:
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- conda-forge
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dependencies:
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- ase =3.24.0
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- ase =3.25.0
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- coverage
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- lxml =5.3.2
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- mendeleev =0.19.0
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- scipy =1.15.2
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- seekpath =2.1.0
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- spglib =2.6.0
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- structuretoolkit =0.0.31
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- structuretoolkit =0.0.32
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- sphinx_parser =0.0.1
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- tqdm =4.67.1
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- pyiron_vasp =0.2.4
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- pyiron_vasp =0.2.5

binder/environment.yml

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channels:
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- conda-forge
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dependencies:
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- ase =3.24.0
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- ase =3.25.0
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- numpy =1.26.4
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- scipy =1.15.2
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- spglib =2.6.0
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- phonopy =2.38.0
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- structuretoolkit =0.0.31
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- structuretoolkit =0.0.32
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- seekpath =2.1.0
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- gpaw =24.6.0
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- lammps =2024.06.27
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- jinja2 =3.1.6
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- dynaphopy =1.17.16
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- tqdm =4.67.1
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- pyiron_lammps =0.4.0
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- pyiron_vasp =0.2.4
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- pyiron_lammps =0.4.1
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- pyiron_vasp =0.2.5

pyproject.toml

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"Programming Language :: Python :: 3.12",
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dependencies = [
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"ase==3.24.0",
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"ase==3.25.0",
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"numpy==1.26.4",
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"scipy==1.15.2",
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"spglib==2.6.0",
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phonopy = [
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"phonopy==2.38.0",
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"seekpath==2.1.0",
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"structuretoolkit==0.0.31",
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"structuretoolkit==0.0.32",
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]
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gpaw = [
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"gpaw==24.6.0",
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"pylammpsmpi==0.2.32",
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"jinja2==3.1.6",
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"pandas==2.2.3",
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"pyiron_lammps==0.4.0",
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"pyiron_lammps==0.4.1",
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]
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lammps_phonons = [
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"pylammpsmpi==0.2.32",
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"jinja2==3.1.6",
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"pandas==2.2.3",
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"dynaphopy==1.17.16",
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"pyiron_lammps==0.4.0",
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"pyiron_lammps==0.4.1",
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experimental = [
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"lxml==5.3.2",
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vasp = [
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"pyiron_vasp==0.2.4"
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"pyiron_vasp==0.2.5"
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]
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[tool.setuptools.packages.find]

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