Aiida-fleur

- supports Fleur MaXR4 and MaXR5 versions with new inpgen
MaXR4 requires providing versions in the code nodes
- Some features relying on the id in the inpgen files,
may be broken by the new inpgen interface change when using MaXR5.1
- Added support for GW calculations with Spex, and the Strain workchain
- Major code refactoring, moving all xml tools to masci-tools (therefore requires masci-tools >=0.4.8)
- Also all file parsers are overworked and moved to masci-tools
- Work over of the BanddosWorkChain.
- FleurinpData now consistently supports more included xml files (kpts.xml, sym.xml, ...)
- Added new modification functions to the FleurinpModifier for kpoint manipulation for Max5


v.1.1.4

- still support of Fleur MaX4 version (release branch) with inpgen
- bugfixes and other general improvements
- new: BandDos workchain: workchain for Band and DOS calculation using the new Fleur BandDOS file
- basic workchains are now cachable, by moving cf out of workchains
- first calcjob and workchain regression tests for outside CI env
- provenance of the result nodes of magnetic workchains is fixed
- corehole and initial_cls workchain are fixed and working
- exit codes for inpgen parser

- still support of Fleur MaX4 version (release branch) with inpgen
- downdgraded aiida-core dependency, do release does not depend on aiida-testing
- Added userfriendly LDA+U support
- SCF workchain can generate kpoints from a given density
- Base fleur has now time limit error handler
- Relax workchain can now run a final scf
- Update documentation for corehole, initial CLS and create magnetic workchains
- Various bug fixes and robustness improvements of magnetic workchains
- For devs: Enforced pre-commit, tests dir moved out of source