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Add new default feature preset and updates for new matminer & pymatgen versions #101

Merged
merged 11 commits into from
Dec 21, 2022
Merged

Add new default feature preset and updates for new matminer & pymatgen versions #101

merged 11 commits into from
Dec 21, 2022
+462 −106

Commits on Dec 21, 2022

  1. Update many dependencies 

    Bump pymatgen from 2020.8.13 to 2022.9.21

Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2020.8.13 to 2022.9.21.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2020.8.13...v2022.9.21)

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

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

Bump matminer from 0.6.5 to 0.7.8

Bumps [matminer](https://github.com/hackingmaterials/matminer) from 0.6.5 to 0.7.8.
- [Release notes](https://github.com/hackingmaterials/matminer/releases)
- [Changelog](https://github.com/hackingmaterials/matminer/blob/main/docs/changelog.html)
- [Commits](hackingmaterials/matminer@v0.6.5...v0.7.8)

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

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

Update sphinx requirement from ~=4.4 to ~=5.3

Updates the requirements on [sphinx](https://github.com/sphinx-doc/sphinx) to permit the latest version.
- [Release notes](https://github.com/sphinx-doc/sphinx/releases)
- [Changelog](https://github.com/sphinx-doc/sphinx/blob/master/CHANGES)
- [Commits](sphinx-doc/sphinx@v4.4.0...v5.3.0)

---
updated-dependencies:
- dependency-name: sphinx
  dependency-type: direct:production
...

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

Bump scikit-learn from 0.23.2 to 1.1.2

Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 0.23.2 to 1.1.2.
- [Release notes](https://github.com/scikit-learn/scikit-learn/releases)
- [Commits](scikit-learn/scikit-learn@0.23.2...1.1.2)

---
updated-dependencies:
- dependency-name: scikit-learn
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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

Bump scikit-learn from 0.23.2 to 1.2.0

Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 0.23.2 to 1.2.0.
- [Release notes](https://github.com/scikit-learn/scikit-learn/releases)
- [Commits](scikit-learn/scikit-learn@0.23.2...1.2.0)

---
updated-dependencies:
- dependency-name: scikit-learn
  dependency-type: direct:production
  update-type: version-update:semver-major
...

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

Bump numpy from 1.23.4 to 1.23.5

Bumps [numpy](https://github.com/numpy/numpy) from 1.23.4 to 1.23.5.
- [Release notes](https://github.com/numpy/numpy/releases)
- [Changelog](https://github.com/numpy/numpy/blob/main/doc/RELEASE_WALKTHROUGH.rst)
- [Commits](numpy/numpy@v1.23.4...v1.23.5)

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

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

Bump pandas from 1.5.0 to 1.5.2

Bumps [pandas](https://github.com/pandas-dev/pandas) from 1.5.0 to 1.5.2.
- [Release notes](https://github.com/pandas-dev/pandas/releases)
- [Changelog](https://github.com/pandas-dev/pandas/blob/main/RELEASE.md)
- [Commits](pandas-dev/pandas@v1.5.0...v1.5.2)

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

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

Unpin deps in setup.py

Bump matminer to 0.8

Update pre-commit hooks
    @dependabot @ml-evs
    dependabot[bot] authored and ml-evs committed Dec 21, 2022
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  2. Update outdated pymatgen imports and associated tweaks

    @ml-evs
    ml-evs committed Dec 21, 2022
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  3. Add warning to DeBreuck2020Featurizer when used with newer matminer

    @ml-evs
    ml-evs committed Dec 21, 2022
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  4. Add and make default a Matminer2023 featurizer preset 

    - Rename old test moddatas to 2020 and add 2023 versions and update tests

- Add same alias to new moddata
    @ml-evs
    ml-evs committed Dec 21, 2022
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  5. Add pip dependency cache

    @ml-evs
    ml-evs committed Dec 21, 2022
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  6. Bump modnet version to 0.2.0~develop

    @ml-evs
    ml-evs committed Dec 21, 2022
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  7. Fix CI pip install process

    @ml-evs
    ml-evs committed Dec 21, 2022
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  8. Simplify CI pip cache

    @ml-evs
    ml-evs committed Dec 21, 2022
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  9. Slow dependabot down and also configure gh actions updates

    @ml-evs
    ml-evs committed Dec 21, 2022
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  10. Remove specific pymatgen clause in README

    @ml-evs
    ml-evs committed Dec 21, 2022
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  11. Fix some typos and format changes 

    - Fix spelling 'mistake'

- Fix another typo

- Fix shields.io badge using new format

- Fix hopefully final typo
    @ml-evs
    ml-evs committed Dec 21, 2022
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