Atomate2

New features:

* Include band-related features (e.g. band center, bandwidth, skewness, kurtosis) in
VASP schema ([Andrew-S-Rosen][arosen], [92](https://github.com/materialsproject/atomate2/pull/92))
* Add `use_auto_ispin` and `update_user_potcar_functional` powerups

Enhancements:

* Add `is_hubbard` and `hubbards` to VASP task doc.
* Migrate build system to pyproject.toml.
* Migrate docs to jupyter-book.
* Docs improvements ([janosh][janosh], [mjwen][mjwen])

Bug fixes:

* Fix HSE tags.
* Fix running bader.
* Make potcar_spec argument usable ([jmmshn][jmmshn], [83](https://github.com/materialsproject/atomate2/pull/83))
* Replace monty which with shutil which ([Andrew-S-Rosen][arosen], [92](https://github.com/materialsproject/atomate2/pull/92))
* Fix `calculate_deformation_potentials()` ([janosh][janosh], [94](https://github.com/materialsproject/atomate2/pull/94))
* Fix gzipping of files with numerical suffixes ([jmmshn][jmmshn], [116](https://github.com/materialsproject/atomate2/pull/116))

New features:

* cclib task document supporting virtually all popular molecular DFT codes out-of-the-box
([Andrew-S-Rosen][arosen], [64](https://github.com/materialsproject/atomate2/pull/64))

Enhancements:

* Add mag_density to VASP output doc ([Andrew-S-Rosen][arosen], [65](https://github.com/materialsproject/atomate2/pull/66))
* Double relax maker now supports two different Makers ([Andrew-S-Rosen][arosen], [32](https://github.com/materialsproject/atomate2/pull/32))

Bug fixes:

* Store band structure efermi in CalculationOutput ([Andrew-S-Rosen][arosen], [66](https://github.com/materialsproject/atomate2/pull/66))
* Support for VASP6 and latest pymatgen ([Andrew-S-Rosen][arosen], [75](https://github.com/materialsproject/atomate2/pull/75))
* Fixed atomate2 version string.
* Disabled orbital projections in the electron-phonon workflow.

This version removed Python 3.7 support following numpy and pymatgen.

New features:

* Base schema for molecule task documents ([Andrew-S-Rosen][arosen], [54](https://github.com/materialsproject/atomate2/pull/54))

Bug fixes:

* Fix VASP relaxation using custodian "FULL_OPT" ([Andrew-S-Rosen][arosen], [42](https://github.com/materialsproject/atomate2/pull/42))
* Fix supercell generation and input sets in electron-phonon workflow.
* Fix `HSEBSSetGenerator` INCAR settings.
* Fix issue with magnetism in SOC structures.
* Fix bug with Fermi level and IBRION=1
* Better handling of URI generation.
* Tweak k-spacing formula to stop large band gaps giving negative values

Lots of improvements and bug fixes this release.

New features:

* AMSET workflow.
* Electron phonon band gap renormalisation workflow.
* Specific uniform and line mode band structure makers.
* Optics maker.
* Transmuter maker.

Enhancements:

* Support for automatic handling of ISPIN.
* Add MP base sets ([Andrew-S-Rosen][arosen], [27](https://github.com/materialsproject/atomate2/pull/27))
* Docs updates ([Andrew-S-Rosen][arosen], [13](https://github.com/materialsproject/atomate2/pull/13) [#17](https://github.com/materialsproject/atomate2/pull/17))
* Options to strip band structure and DOS projects to reduce object sizes.
* Input sets now use generators to avoid serialization issues.
* Use smart efermi finding to remove errors with tetrahedron integration in VASP 6.
* Powerups can now work on `Maker` objects directly.

Bug fixes:

* Use PBEsol by default.
* Increase number of significant figures when writing POSCAR files.
* Remove unused INCAR settings ([Andrew-S-Rosen][arosen])
* Add missing LASPH flags on vdW functionals ([Andrew-S-Rosen][arosen], [31](https://github.com/materialsproject/atomate2/pull/31))
* Use `NSW=0` in static calculations ([Andrew-S-Rosen][arosen], [10](https://github.com/materialsproject/atomate2/pull/10))
* `LREAL = False` in static jobs by default ([Andrew-S-Rosen][arosen], [23](https://github.com/materialsproject/atomate2/pull/23))
* Add missing functionals in output schema ([Andrew-S-Rosen][arosen], [12](https://github.com/materialsproject/atomate2/pull/12))
* Many output schema fixes.
* Better support for FireWorks.
* Support writing additional files in VASP jobs.

Many updates to use the latest jobflow store features.

Automated releases.