diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 5d58f1cb4e15df04671abc8aa477eb0e726e03c2..ea3c60e1ad55bdae6936eb6677b188327f6f2bb1 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -1,3 +1,10 @@ +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 -------------------------------------------------------------------------------- diff --git a/doc/conf/conf.py b/doc/conf/conf.py index 498170b994f0050094e45667a503ad2d909dbdcb..cb5290b6daa1e635e84c6f577730acfac581941f 100644 --- a/doc/conf/conf.py +++ b/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 diff --git a/singularity/Singularity b/singularity/Singularity index 5ebf34855fcdb3ecfd1d4276128394b0fe63a7c2..3a3889f2026cb6f5376f90c5a47fa983e2c8e16e 100644 --- a/singularity/Singularity +++ b/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 ##############################################################################