Release notes

1.4.0

Added:

  • Update linelength to sk-package standard of 79 characters.

Changed:

  • Renamed CODE_OF_CONDUCTS.rst to CODE-OF-CONDUCTS.rst, doc folder to docs, and requirements/test.txt to requirements/tests.txt

Fixed:

  • Configure black to have a linelength requirement of 79 characters.

  • Update requirements to use full release libdiffpy and remove wrong build dependencies.

  • Support scikit-package Level 5 standard (https://scikit-package.github.io/scikit-package/).

Version 1.3.0 2019-03-13

Main differences from version 1.2.

Added:

  • Support for Python 3.7, 3.6, 3.5 in addition to 2.7.

  • Validation of compiler options from python-config.

  • Make scons scripts compatible with Python 3 and Python 2.

  • ConstantPeakWidth attributes uisowidth, bisowidth to ease PDF simulation with uniform isotropic atom displacements.

Changed:

  • Require libdiffpy 1.4 or later.

  • Build Anaconda package with Anaconda C++ compiler.

  • Allow language standard c++11.

  • Pickle format for PDFCalculator, DebyePDFCalculator, OverlapCalculator, PeakWidthModel, PeakProfile, PDFEnvelope, PDFBaseline, and ScatteringFactorTable objects.

Deprecated:

  • Variable __gitsha__ in the version module renamed to __git_commit__.

  • libdiffpy_version_info attribute git_sha renamed to git_commit.

Removed

  • Unused method BVParam.__hash__.

  • Disable pickling of BasePairQuantity as it is in effect abstract.

  • Pickling of Python-added attributes to exported C++ classes.

  • Function get_libdiffpy_version_info from the version module.

Fixed

  • Return value conversion of CrystalStructureAdapter methods expandLatticeAtom and getEquivalentAtoms methods. Make them return a list of Atom objects.

  • Name suffix resolution of boost_python shared library.