v0.9.0 - PyVista 3D Backend

What's New

PyVista 3D Visualization (preferred)

• New PyVista backend for plot_contour3d, plot_mcontour, plot_field
• Backward compatible: mayavi is kept as a legacy fallback — existing setups continue to work
• New _build_structured_grid method maps fractional coordinates to Cartesian space using POSCAR lattice vectors
• Non-orthogonal cells (hexagonal, monoclinic, etc.) now render correctly (#8)

Bug Fixes

• Fix scipy.integrate.simps → simpson compatibility with scipy 1.14+ (#18)
• PySide/PyQt4 no longer required — PyVista installs with a single pip install (#4)

Dependencies

• Add pyvista>=0.42.0
• Drop Python 2.7 / Canopy support

Install

pip install vaspy==0.9.0

First offical pre-release

Merge pull request #12 from PytLab/add-poscar-cartesian-coordinate

Make XsdFile compatible with file without lattice info