Version number, setup.py metadata

CHANGELOG.rst

@@ -5,8 +5,11 @@ Notable changes are logged here by release. This project uses `Semantic
 Versioning <http://semver.org/>`__. The changelog format is inspired by
 `keep-a-changelog <https://github.com/olivierlacan/keep-a-changelog>`__.
 
-`Unreleased <https://github.com/smtg-ucl/galore/compare/0.4.0...HEAD>`__
+`Unreleased <https://github.com/smtg-ucl/galore/compare/0.5.0...HEAD>`__
 -------------------------------------------------------------------------
+
+`[0.5.0] <https://github.com/smtg-ucl/galore/compare/0.4.0...0.5.0>`__ - 2018-04-22
+-----------------------------------------------------------------------------------
 - Resample with interpolation by default; use "spikes" only when requested
 
 `[0.4.0] <https://github.com/smtg-ucl/galore/compare/0.3.0...0.4.0>`__ - 2018-04-17

docs/source/conf.py

@@ -60,9 +60,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = '0.3'
+version = '0.5'
 # The full version, including alpha/beta/rc tags.
-release = '0.3.0'
+release = '0.5.0'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
@@ -173,6 +173,6 @@ def setup(app):
 # dir menu entry, description, category)
 texinfo_documents = [
  (master_doc, 'Galore', 'Galore Documentation',
- author, 'Galore', 'One line description of project.',
+ author, 'Galore', 'Broadening and weighting for simulated spectra.',
  'Miscellaneous'),
 ]

setup.py

@@ -17,16 +17,18 @@ def unit_tests():
 
  setup(
  name='galore',
- version='0.4.1',
- description='Broadening of simulated spectra',
+ version='0.5.0',
+ description='Broadening and weighting for simulated spectra',
  long_description="""
- Apply Gaussian and Lorentzian broadening to data from *ab initio*
+ Apply Gaussian and Lorentzian broadening to data from ab initio
  calculations. The two main intended applications are
 
- 1. Application of Lorentzian instrumental broadening to simulated
+ 1. Broadening of electronic density-of-states to simulate photoemission 
+ spectroscopy (PES) data. Orbital contributions may also be weighted to
+ account for the frequency-dependent photoionisation cross-section.
+
+ 2. Application of Lorentzian instrumental broadening to simulated
  Raman spectra from DFPT calculations.
- 2. Gaussian broadening of electronic density-of-states to simulate XPS
- data, followed by Lorentzian instrumental broadening.
  """,
  url="https://github.com/SMTG-UCL/galore",
  author="Scanlon Materials Theory Group",