Releases: SMTG-Bham/galore
0.9.0 - Mostly just a Python bump
- Drop Python 3.7
- Fix Python 3.10 support (@Hashan-Peiris )
- Implement
--xflip
option for simple data plots (@ajjackson)
0.8.0 - pretty PDOS, drop Python <3.7
0.7.0 - Drop Python 3.4
- This project has migrated to Github Actions for automated testing.
- Python 3.4 has been deprecated.
- A bug has been fixed which was causing errors in the main Galore module.
0.6.3: Bugfix release for Python 3.4
This is the final release of Galore for Python 3.4.
We are no longer able to support this platform as we have migrated to Github's testing infrastructure which does not provide a convenient test image for that version.
This is a bugfix release intended only for Python 3.4 users.
For Python 3.5 and above, the version history runs 0.6.2 -> 0.7.0.
- BUGFIX: missing import affecting process_pdos
Bug fixes and depency updates
This release doesn't add any features, but fixes some errors and updates the installation setup.
Changelog
- Updated setup.py to add a [vasp] extra; this handles Pymatgen installation which can be tricky on older Python versions.
- Update the [vasp] extra to handle some compatibility breaks between dependencies and different Python versions.
- Fix some incorrect values in Al k-alpha XPS cross-sections
- Pymatgen CompleteDOS was not correctly accepted by galore.process_pdos()
- Implement previously ineffective "offset" option in galore.plot.plot_pdos(), add a matching option to galore.plot.plot_tdos()
Bugfix: elemental PDOS plots
This fixes a bug encountered when plotting a PDOS for an elemental system
Styling with matplotlib; end Python 2 support
- Matplotlib styling is exposed to the user:
--style
option selects CLI style
while Python API does not overrule existing style. - The default TDOS line colour is now the first colour from the
selected style, which is usually blue. The previous default was a
bright red. - Pymatgen CompleteDos objects can be processed directly.
- Dropped Python 2.7 compatability.
- Fixed PDOS bug introduced with Python3 cleanup
Minor enhancement: Mb unit option for galore-plot-cs
Merge pull request #15 from SMTG-UCL/megabarnes Add option to set y unit to megabarn
DOS interpolation
Resampling is now done by linear interpolation, which is more reasonable for continuous data and means there is not a minimal broadening requirement for a decent DOS output. The previous behaviour is more appropriate for irregularly-spaced data and remains available with the "spikes" option.
Bump to trigger Zenodo build
- Want to add a citation file...
- which needs some kind of permanent identifier like a DOI...
- but Zenodo needs a new version to be released before it will mint a DOI...
- but the next "thing to do" is add a citation file...
- so this release is identical to 0.4.0