diff --git a/README.rst b/README.rst
index 13a0942..eaa5840 100644
--- a/README.rst
+++ b/README.rst
@@ -24,8 +24,8 @@ modification, separation, for any purpose and without a charge.
:scale: 100%
:target: https://alchemtest.readthedocs.io/en/latest/
-.. |doi| image:: https://zenodo.org/badge/XXXXX.svg
+.. |doi| image:: https://zenodo.org/badge/83470847.svg
:alt: Zenodo DOI
:scale: 100%
- :target: https://zenodo.org/badge/latestdoi/XXXXX
+ :target: https://zenodo.org/badge/latestdoi/83470847
diff --git a/docs/conf.py b/docs/conf.py
index e89a811..3317ee4 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -58,9 +58,22 @@
# built documents.
#
# The short X.Y version.
-version = u'0.1.0-dev'
+#version = u'0.2'
# The full version, including alpha/beta/rc tags.
-release = u'0.1.0-dev'
+#release = u'0.2.0'
+
+# automatically get the version information (requires that
+# alchemtest is installed)
+# We always display the full release string; if something else is
+# desired, see the commented out code
+
+from alchemtest._version import get_versions
+release = get_versions()['version']
+del get_versions
+
+version = release
+#version = release.split("+")[0] # only major.minor.patch
+#version = "."join(release.split(".")[:2]) # only major.minor
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
diff --git a/docs/index.rst b/docs/index.rst
index f5902ed..516ae34 100644
--- a/docs/index.rst
+++ b/docs/index.rst
@@ -6,6 +6,8 @@
alchemtest: the simple alchemistry test set
===========================================
+|doi|
+
**alchemtest** is a collection of test datasets for alchemical free energy
calculations. The datasets come from a variety of software packages, primarily
molecular dynamics engines, and are used as the test set for `alchemlyb`_. The
@@ -23,6 +25,10 @@ suite it may contain bugs. Please raise any issues or questions in the
`Issue Tracker`_. `Contributions of data sets`_ and code in the form
of pull requests are very welcome.
+.. |doi| image:: https://zenodo.org/badge/83470847.svg
+ :alt: Zenodo DOI
+ :scale: 100%
+ :target: https://zenodo.org/badge/latestdoi/83470847
.. _`alchemlyb`: https://github.com/alchemistry/alchemlyb
.. _`open license`:
diff --git a/src/alchemtest/namd/access.py b/src/alchemtest/namd/access.py
index 72f4c3f..cb1b921 100644
--- a/src/alchemtest/namd/access.py
+++ b/src/alchemtest/namd/access.py
@@ -21,8 +21,8 @@ def load_tyr2ala():
"""
module_path = dirname(__file__)
- data = {'forward': glob(join(module_path, 'tyr2ala/in-aqua/forward/*.fepout')),
- 'backward': glob(join(module_path, 'tyr2ala/in-aqua/backward/*.fepout'))}
+ data = {'forward': glob(join(module_path, 'tyr2ala/in-aqua/forward/*.fepout.bz2')),
+ 'backward': glob(join(module_path, 'tyr2ala/in-aqua/backward/*.fepout.bz2'))}
with open(join(module_path, 'tyr2ala', 'descr.rst')) as rst_file:
fdescr = rst_file.read()
diff --git a/src/alchemtest/namd/tyr2ala/descr.rst b/src/alchemtest/namd/tyr2ala/descr.rst
index 0996e68..960744f 100644
--- a/src/alchemtest/namd/tyr2ala/descr.rst
+++ b/src/alchemtest/namd/tyr2ala/descr.rst
@@ -24,5 +24,6 @@ Data Set Characteristics:
:License: `CC0 `_
Public Domain Dedication
-This dataset was generated using the `NAMD `_
-molecular dynamics engine.
+This dataset was generated using the `NAMD
+`_ molecular dynamics
+engine.