Pycalphad

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This is a major release containing performance improvements, bug fixes, and breaking changes for custom models.
Note that, if you use custom Models with pycalphad, you will need to change all your sympy imports to symengine.
It should be a drop-in replacement in most cases; if you have any issues, please file a GitHub issue or contact us.

* BLD: Support for Python 3.10 ( :issue:`374` )
* ENH: Use SymEngine everywhere and remove SymPy support ( :issue:`376` )
* ENH: Minimizer: refactor and convergence improvements ( :issue:`373` )
* ENH: General charge-constrained phases support ( :issue:`386` )
* FIX: tdb: Silently drop (for now) DIFFUSION and ZEROVOLUME_SPECIES commands ( :issue:`397` )
* FIX: tdb: writer line length bugs ( :issue:`392` )
* MAINT: plot: Create new axes with specified projection without deprecated functionality ( :issue:`370` )

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This is a minor release containing a bug fix for a regression introduced by the previous release.

* FIX: Associate model computation in ``calculate`` when number of components is different from number of elements ( :issue:`367`, :issue:`368` )

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This is a minor release containing performance improvements and bug fixes.

* ENH: Add metastable composition sets to solver starting point ( :issue:`362` )
* ENH: Refactor solver and improve solver performance ( :issue:`357`, :issue:`360` )
* FIX: Custom state variables cannot be set equal to zero ( :issue:`365` )
* ENH: Allow passing dictionaries of PhaseRecord objects to equilibrium and calculate ( :issue:`361` )
* FIX: Database parsing fails if some tokens are not uppercase ( :issue:`364` )
* ENH: Add parsing support for all TC parameters as of 2021b documentation ( :issue:`358` )

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This is a major release including a new minimizer, support for installing from PyPI using pip, performance improvements, documentation improvements, and bug fixes.

* ENH: Introduce a new energy minimizer based on the method described by [Sundman2015]_.
The new minimizer improves performance, convergence for dilute and pseudo-binary systems,
and reduces the point grid density (memory) required for convergence.
( :issue:`329`, :issue:`332`, :issue:`336`, :issue:`339`, :issue:`343`, :issue:`344` )
* BLD: Improve the build system to support PEP 517 and PEP 518 isolated builds and
the ``pyproject.toml`` standard. ( :issue:`330`, :issue:`331`, :issue:`334` )
* BLD: Distributed pycalphad wheels on PyPI in addition to the conda-forge package.
Using pip to install pycalphad is now supported and recommended. ( :issue:`346` )
* ENH: Improve performance of ``Model`` instantiation ( :issue:`340` )
* MAINT: Add support for pyparsing 3.0 ( :issue:`348` )
* DOC: Improve installation documentation with the newly supported pip/PyPI packages.
An installation configuration tool is provided in the installation guide. ( :issue:`351` )
* MAINT: Refactor _sample_phase_constitution ( :issue:`335` )
* MAINT: Remove ``refdata.py`` that was deprecated in pycalphad 0.6 ( :issue:`333` )
* MAINT: Using setuptools_scm instead of versioneer to version pycalphad.
The version scheme for development versions has changed. ( :issue:`341` )

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* MAINT: Introduce a warning when partitioned phase models incorrectly use ``_MIX`` properties ( :issue:`328` )
* FIX: Generalize assumptions for the species that can be in substitutional and interstitial sublattices of partitioned phase models ( :issue:`311` )
* FIX: Improve strictness when parsing TDB FUNCTION and PARAMETER lines ( :issue:`308` )
* FIX: Fix Triangular axes projections to allow padding for text labels ( :issue:`295` )
* ENH: Phase diagram plotting: enable tie-line/triangle and legend customization ( :issue:`292` )
* FIX: Fix a bug where ``Model._array_validity`` could include species that are not in the phase constituents ( :issue:`258` )
* FIX: Fix but where ``eqplot`` could attempt to plot tie-triangles for T-X diagrams ( :issue:`288` )

* MAINT: Dependency and build system changes:

* Support Python 3.9 ( :issue:`298` )
* Bump cyipopt to support new package name and v1.0 API ( :issue:`289` )
* Bump SymPy pin to v1.8 ( :issue:`289` )
* Bump SymEngine pin to v0.7.0 ( :issue:`316` )
* Bump SymEngine.py pin to v0.7.2 ( :issue:`289` )
* Switch to matplotlib-base; bump to v3.3 ( :issue:`327` )
* Fix NumPy deprecation warnings introduced in v1.20 ( :issue:`312` )
* Use `setup_requires` for build Python build dependences ( :issue:`325` )
* The pycalphad conda channel is no longer required for installation ( :issue:`297` )

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This is a minor release containing performance improvements and bug fixes.

* DOC: Fix array indexing in examples ( :issue:`282` )
* ENH: Improve compilation performance by unwraping ``Piecewise`` with only one nonzero branch in ``Model.redlich_kister_sum`` ( :issue:`281` )
* ENH: Improve ``hyperplane()`` performance and support parameter vectorization in ``calculate()`` ( :issue:`274` )
* FIX: Bug fixes and tests for the two sublattice ionic liquid where energies were calculated incorrectly ( :issue:`273` )
* MAINT: Fixes an internal API regression in ``_eqcalculate``, the ``models`` aregument is now ``model`` ( :issue:`272` )
* FIX: Fixes a bug where databases with many components would raise an error because ``_eqcalculate`` computed the degrees of freedom based on all components instead of the active components defined in the current ``Model`` instance ( :issue:`270` )