Hi:

my env is Anaconda2 5.3.1 (python2.7.15)

firstly, i installed CCDC2019

when it finished, raise info:

Info: The post-installation CSD Python API test did not return the expected
output - this means that the installation may not have completed successfully.

i checked install_log:

Script stderr:
Cannot use native OpenGL. Using Mesa.
No OpenGL libraries found, using fallback MesaGL. This software requires OpenGL libraries for optimum performance and some features may not work correctly without them. We highly recommend installation

and then install python-api, commands:

conda install Pillow six lxml numpy matplotlib

conda install csd-python-api-2.0.0-linux-64-py2.7-conda.tar.bz2

but when I import ccdc:

Python 2.7.15 |Anaconda, Inc.| (default, Dec 14 2018, 19:04:19)
[GCC 7.3.0] on linux2
Type "help", "copyright", "credits" or "license" for more information.
>>> import ccdc
QStandardPaths: wrong ownership on runtime directory /run/user/1000, 1000 instead of 0
qt.qpa.screen: QXcbConnection: Could not connect to display
python: relocation error: /PUBLIC/apps/anaconda2//lib/python2.7/site-packages/ccdc/_lib/libQt5XcbQpa.so.5: symbol _ZdlPvm, version Qt_5 not defined in file libQt5Core.so.5 with link time reference

we must use a gui to import ccdc?

thanks 

Hi,

The CSD Python API version 2.0 does require access to a display - this does not need to be a physical display though. We would recommend use of xdummy as a virtual display for this purpose.

It is also possible to start the API without a display by setting the environment variable CCDC_PYTHON_API_NO_QAPPLICATION to any value - however, we do not support use of the API in this manner, as parts of the API that require access to a display will fail.

You do also appear to have a couple of other issues when importing ccdc:

1. The error "QStandardPaths: wrong ownership on runtime directory /run/user/1000, 1000 instead of 0". The API uses the standard environment variable XDG_RUNTIME_DIR to define a temporary location - it may be that you do not have proper permissions for /run/user/1000, which is likely what XDG_RUNTIME_DIR is set to for the user you are logged in as, so you can either look at setting permissions for that directory properly, or else set XDG_RUNTIME_DIR to a different directory you know you have write permission for.

2. The more worrying error is "python: relocation error: /PUBLIC/apps/anaconda2//lib/python2.7/site-packages/ccdc/_lib/libQt5XcbQpa.so.5: symbol _ZdlPvm, version Qt_5 not defined in file libQt5Core.so.5 with link time reference". The version of libQt5Core.so.5 we bundle with the API should contain the _ZdlPvm symbol, so the error suggests that it is linking to another version of libQt5Core.so.5. Have you correctly set LD_LIBRARY_PATH so that /PUBLIC/apps/anaconda2//lib/python2.7/site-packages/ccdc/_lib is the first directory? That should ensure the correct version is picked up.

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