v2.0a5

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

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="[email protected]" },
 ]

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.

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

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",