diff --git a/CHANGELOG.md b/CHANGELOG.md index 2c8dc90..272d63f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,6 +5,24 @@ All notable changes to `libcasm-xtal` will be documented in this file. The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). + +## [2.0a5] - 2023-10-25 + +### Added + +- Added SymOp.matrix_rep to get matrix representations for transforming CASM-supported properties in the standard basis + +### Changed + +- Do not allow automatic conversion from floating point arrays to integer Eigen objects. +- Added a parameter, `mode`, to Structure.from_poscar and Structure.from_poscar_str to specify whether the POSCAR should be read as atoms, molecules, or both. The default was set to "atoms". Previous behavior was equivalent to using "both". + +### Fixed + +- Fixed the xtal::Site::dof error message thrown when the requested DoF type does not exist on the site +- Updated documentation for the `local_dofs` parameters in libcasm.xtal.prims + + ## [2.0a4] - 2023-09-29 ### Fixed diff --git a/pyproject.toml b/pyproject.toml index cc57612..831177b 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,7 +12,7 @@ build-backend = "setuptools.build_meta" [project] name = "libcasm-xtal" -version = "2.0a4" +version = "2.0a5" authors = [ { name="CASM developers", email="casm-developers@lists.engr.ucsb.edu" }, ] diff --git a/python/doc/conf.py b/python/doc/conf.py index 0c205ba..96928b9 100644 --- a/python/doc/conf.py +++ b/python/doc/conf.py @@ -96,7 +96,7 @@ # The short X.Y version. version = "2.0" # The full version, including alpha/beta/rc tags. -release = "2.0a4" +release = "2.0a5" # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/python/setup.py b/python/setup.py index 8adc401..00339d3 100644 --- a/python/setup.py +++ b/python/setup.py @@ -1,6 +1,6 @@ import os -__version__ = "2.0a4" +__version__ = "2.0a5" # Available at setup time due to pyproject.toml from pybind11.setup_helpers import Pybind11Extension, build_ext diff --git a/setup.py b/setup.py index 733de34..eaa4f5b 100644 --- a/setup.py +++ b/setup.py @@ -2,7 +2,7 @@ setup( name="libcasm-xtal", - version="2.0a4", + version="2.0a5", packages=["libcasm", "libcasm.xtal"], package_dir={"": "python"}, cmake_install_dir="python/libcasm",