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Update dependencies (#1887)
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* Bump mypy from 1.6.1 to 1.7.0 (#1873)

Bumps [mypy](https://github.com/python/mypy) from 1.6.1 to 1.7.0.
- [Changelog](https://github.com/python/mypy/blob/master/CHANGELOG.md)
- [Commits](python/mypy@v1.6.1...v1.7.0)

---
updated-dependencies:
- dependency-name: mypy
  dependency-type: direct:development
  update-type: version-update:semver-minor
...

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* Bump pymatgen from 2023.10.11 to 2023.11.12 (#1872)

Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2023.10.11 to 2023.11.12.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md)
- [Commits](materialsproject/pymatgen@v2023.10.11...v2023.11.12)

---
updated-dependencies:
- dependency-name: pymatgen
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* Bump ruff from 0.1.4 to 0.1.5 (#1875)

Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.4 to 0.1.5.
- [Release notes](https://github.com/astral-sh/ruff/releases)
- [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md)
- [Commits](astral-sh/ruff@v0.1.4...v0.1.5)

---
updated-dependencies:
- dependency-name: ruff
  dependency-type: direct:development
  update-type: version-update:semver-patch
...

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* Bump black from 23.10.1 to 23.11.0 (#1876)

Bumps [black](https://github.com/psf/black) from 23.10.1 to 23.11.0.
- [Release notes](https://github.com/psf/black/releases)
- [Changelog](https://github.com/psf/black/blob/main/CHANGES.md)
- [Commits](psf/black@23.10.1...23.11.0)

---
updated-dependencies:
- dependency-name: black
  dependency-type: direct:development
  update-type: version-update:semver-minor
...

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* Bump uvicorn from 0.24.0 to 0.24.0.post1 (#1874)

Bumps [uvicorn](https://github.com/encode/uvicorn) from 0.24.0 to 0.24.0.post1.
- [Release notes](https://github.com/encode/uvicorn/releases)
- [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md)
- [Commits](encode/uvicorn@0.24.0...0.24.0.post1)

---
updated-dependencies:
- dependency-name: uvicorn
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Bump ruff from 0.1.5 to 0.1.6 (#1877)

Bumps [ruff](https://github.com/astral-sh/ruff) from 0.1.5 to 0.1.6.
- [Release notes](https://github.com/astral-sh/ruff/releases)
- [Changelog](https://github.com/astral-sh/ruff/blob/main/CHANGELOG.md)
- [Commits](astral-sh/ruff@v0.1.5...v0.1.6)

---
updated-dependencies:
- dependency-name: ruff
  dependency-type: direct:development
  update-type: version-update:semver-patch
...

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

* Bump rich from 13.6.0 to 13.7.0 (#1878)

Bumps [rich](https://github.com/Textualize/rich) from 13.6.0 to 13.7.0.
- [Release notes](https://github.com/Textualize/rich/releases)
- [Changelog](https://github.com/Textualize/rich/blob/master/CHANGELOG.md)
- [Commits](Textualize/rich@v13.6.0...v13.7.0)

---
updated-dependencies:
- dependency-name: rich
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* Bump mkdocstrings[python] from 0.23.0 to 0.24.0 (#1879)

Bumps [mkdocstrings[python]](https://github.com/mkdocstrings/mkdocstrings) from 0.23.0 to 0.24.0.
- [Release notes](https://github.com/mkdocstrings/mkdocstrings/releases)
- [Changelog](https://github.com/mkdocstrings/mkdocstrings/blob/main/CHANGELOG.md)
- [Commits](mkdocstrings/mkdocstrings@0.23.0...0.24.0)

---
updated-dependencies:
- dependency-name: mkdocstrings[python]
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* Bump aiida-core from 2.4.0 to 2.4.1 (#1880)

Bumps [aiida-core](https://github.com/aiidateam/aiida-core) from 2.4.0 to 2.4.1.
- [Release notes](https://github.com/aiidateam/aiida-core/releases)
- [Changelog](https://github.com/aiidateam/aiida-core/blob/v2.4.1/CHANGELOG.md)
- [Commits](aiidateam/aiida-core@v2.4.0...v2.4.1)

---
updated-dependencies:
- dependency-name: aiida-core
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Bump pydantic-settings from 2.0.3 to 2.1.0 (#1881)

Bumps [pydantic-settings](https://github.com/pydantic/pydantic-settings) from 2.0.3 to 2.1.0.
- [Release notes](https://github.com/pydantic/pydantic-settings/releases)
- [Commits](pydantic/pydantic-settings@v2.0.3...v2.1.0)

---
updated-dependencies:
- dependency-name: pydantic-settings
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

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* Bump mkdocs-material from 9.4.8 to 9.4.10 (#1882)

Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.4.8 to 9.4.10.
- [Release notes](https://github.com/squidfunk/mkdocs-material/releases)
- [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG)
- [Commits](squidfunk/mkdocs-material@9.4.8...9.4.10)

---
updated-dependencies:
- dependency-name: mkdocs-material
  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>
Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>

* Bump mypy from 1.7.0 to 1.7.1 (#1884)

Bumps [mypy](https://github.com/python/mypy) from 1.7.0 to 1.7.1.
- [Changelog](https://github.com/python/mypy/blob/master/CHANGELOG.md)
- [Commits](python/mypy@v1.7.0...v1.7.1)

---
updated-dependencies:
- dependency-name: mypy
  dependency-type: direct:development
  update-type: version-update:semver-patch
...

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* Bump mkdocs-material from 9.4.10 to 9.4.14 (#1885)

Bumps [mkdocs-material](https://github.com/squidfunk/mkdocs-material) from 9.4.10 to 9.4.14.
- [Release notes](https://github.com/squidfunk/mkdocs-material/releases)
- [Changelog](https://github.com/squidfunk/mkdocs-material/blob/master/CHANGELOG)
- [Commits](squidfunk/mkdocs-material@9.4.10...9.4.14)

---
updated-dependencies:
- dependency-name: mkdocs-material
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Bump httpx from 0.25.1 to 0.25.2 (#1886)

Bumps [httpx](https://github.com/encode/httpx) from 0.25.1 to 0.25.2.
- [Release notes](https://github.com/encode/httpx/releases)
- [Changelog](https://github.com/encode/httpx/blob/master/CHANGELOG.md)
- [Commits](encode/httpx@0.25.1...0.25.2)

---
updated-dependencies:
- dependency-name: httpx
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

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* Update `pre-commit` hooks

* Linting

---------

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Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>
Co-authored-by: Matthew Evans <git@ml-evs.science>
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4 people committed Dec 4, 2023
1 parent c34410c commit 6a2b306
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Showing 7 changed files with 19 additions and 17 deletions.
6 changes: 3 additions & 3 deletions .pre-commit-config.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ default_language_version:

repos:
- repo: https://github.com/ambv/black
rev: 23.10.1
rev: 23.11.0
hooks:
- id: black
name: Blacken
Expand All @@ -30,7 +30,7 @@ repos:
args: ["--py39-plus"]

- repo: https://github.com/charliermarsh/ruff-pre-commit
rev: 'v0.1.4'
rev: 'v0.1.6'
hooks:
- id: ruff
args: [--fix, --exit-non-zero-on-fix]
Expand All @@ -52,7 +52,7 @@ repos:
description: Update the API Reference documentation whenever a Python file is touched in the code base.

- repo: https://github.com/pre-commit/mirrors-mypy
rev: v1.6.1
rev: v1.7.1
hooks:
- id: mypy
name: "MyPy"
Expand Down
8 changes: 5 additions & 3 deletions optimade/models/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -178,10 +178,12 @@ def _reduce_or_anonymize_formula(
"""Takes an input formula, reduces it and either alphabetizes or anonymizes it."""
import sys

numbers = [int(n.strip() or 1) for n in re.split(r"[A-Z][a-z]*", formula)[1:]]
numbers: list[int] = [
int(n.strip() or 1) for n in re.split(r"[A-Z][a-z]*", formula)[1:]
]
# Need to remove leading 1 from split and convert to ints

species = re.findall("[A-Z][a-z]*", formula)
species: list[str] = re.findall("[A-Z][a-z]*", formula)

if sys.version_info[1] >= 9:
gcd = math.gcd(*numbers)
Expand All @@ -198,7 +200,7 @@ def _reduce_or_anonymize_formula(
species = [s for _, s in zip(numbers, anonymous_element_generator())]

elif alphabetize:
species, numbers = zip(*sorted(zip(species, numbers)))
species, numbers = zip(*sorted(zip(species, numbers))) # type: ignore[assignment]

return "".join(f"{s}{n if n != 1 else ''}" for n, s in zip(numbers, species))

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4 changes: 2 additions & 2 deletions requirements-client.txt
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
aiida-core==2.4.0
aiida-core==2.4.1
ase==3.22.1
jarvis-tools==2023.9.20
numpy>=1.20
pymatgen==2023.10.11
pymatgen==2023.11.12
6 changes: 3 additions & 3 deletions requirements-dev.txt
Original file line number Diff line number Diff line change
@@ -1,13 +1,13 @@
black==23.10.1
black==23.11.0
build==1.0.3
flake8==6.1.0
invoke==2.2.0
isort==5.12.0
jsondiff==2.0.0
mypy==1.6.1
mypy==1.7.1
pre-commit==3.5.0
pylint==3.0.2
pytest==7.4.3
pytest-cov==4.1.0
ruff==0.1.4
ruff==0.1.6
types-all==1.0.0
4 changes: 2 additions & 2 deletions requirements-docs.txt
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
mike==2.0.0
mkdocs==1.5.3
mkdocs-awesome-pages-plugin==2.9.2
mkdocs-material==9.4.8
mkdocstrings[python]==0.23.0
mkdocs-material==9.4.14
mkdocstrings[python]==0.24.0
4 changes: 2 additions & 2 deletions requirements-http-client.txt
Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
click==8.1.7
httpx==0.25.1
rich==13.6.0
httpx==0.25.2
rich==13.7.0
4 changes: 2 additions & 2 deletions requirements.txt
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
lark==1.1.7
pydantic[email]==2.3.0
pydantic_settings==2.0.3
pydantic_settings==2.1.0
pyyaml==6.0.1
requests==2.31.0
uvicorn==0.24.0
uvicorn==0.24.0.post1

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