Merge with develop

CHANGELOG.txt

+Changes in Release 1.11.0
+--------------------------------------------------------------------------------
+
+ * This is expected to be the last release supporting Python 2.
+ * Read revision version numbers from mmCIF files.
+ * Several minor bug fixes and improvements.
+
 Changes in Release 1.10.0
 --------------------------------------------------------------------------------
 

doc/conf/conf.py

@@ -48,8 +48,8 @@ source_suffix = '.rst'
 master_doc = 'index'
 
 # General information about the project.
-project = 'OpenStructure'
-copyright = '2020, OpenStructure authors'
+project = u'OpenStructure'
+copyright = u'2020, OpenStructure authors'
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the

singularity/Singularity

@@ -18,13 +18,26 @@ ln -sf /bin/bash /bin/sh
 apt-get update -y && apt-get install -y python3-pip
 pip3 install nglview \
              ipython \
-             jupyter 
+             jupyter \
+             six
+
+# SET LOCALE
+############
+echo "LC_ALL=en_US.UTF-8" >> /etc/environment
+echo "en_US.UTF-8 UTF-8" >> /etc/locale.gen
+echo "LANG=en_US.UTF-8" > /etc/locale.conf
+locale-gen en_US.UTF-8
 
 # SETUP IPYTHON / JUPYTER
 #########################
+# As the Singularity mounts $HOME by default Jupyter and Ipython config files
+# are moved to separate directories. Proper environmental variables are also 
+# set
+export IPYTHONDIR="/usr/local/share/ipython"
 export JUPYTER_CONFIG_DIR="/usr/local/etc/jupyter"
 export JUPYTER_PATH="/usr/local/share/jupyter"
 export JUPYTER_RUNTIME_DIR="$JUPYTER_PATH/runtime"
+
 mkdir -p /usr/local/share/ipython
 mkdir -p $JUPYTER_PATH
 mkdir -p $JUPYTER_RUNTIME_DIR
@@ -56,14 +69,10 @@ jupyter nbextension enable nglview --py --sys-prefix
 ##############################################################################
 # ENVIRONMENT
 ##############################################################################
-# As the Singularity mounts $HOME by default Jupyter and Ipython config files
-# are moved to separate directories. Proper environmental variables are also 
-# set
 export IPYTHONDIR="/usr/local/share/ipython"
 export JUPYTER_CONFIG_DIR="/usr/local/etc/jupyter"
 export JUPYTER_PATH="/usr/local/share/jupyter"
-export JUPYTER_RUNTIME_DIR="/usr/local/share/jupyter/runtime"
-
+export JUPYTER_RUNTIME_DIR="$JUPYTER_PATH/runtime"
 
 %apprun ChemdictTool
 ##############################################################################