Please also check the autoPROC home page and the news page for updates and snapshot releases.
The same issue as in previous versions (going back to 2017) still seems to exist. At least we haven't had any feedback to the contrary.
Please note that native SFRM formatted datasets should be fully supported in autoPROC.
We've had reports from users about some unexpected GPX2 pop-up windows appearing on MacOS 10.15 (this apparently didn't happen on previous 10.X versions). We are trying to recreate and analyse this, but in the meantime you can set the parameter autoPROC_CreateGpxPictures to "no" which will switch the generation of diffraction image pictures completely off. This can be done via an environment variable
setenv autoPROC_CreateGpxPictures "no" # csh/tcsh - or - export autoPROC_CreateGpxPictures="no" # bash/sh
or on the autoPROC command-line
process autoPROC_CreateGpxPictures="no" ...
You can still check processing and predictions using GPX2 via the created gpx.sh scripts (see standard output).
With previous releases, we've seen some long execution times for autoPROC on CentOS8 due to the distributed Gnuplot binary taking a surprisingly long time. This should be fixed with this release, but if you still experience slowdowns, we would recommend the installation of an OS-specific version of Gnuplot on those systems.
As root, run
yum install gnuplot
and as software installer run
echo "setenv BDG_TOOL_GNUPLOT \"/usr/bin/gnuplot\"" >> $autoPROC_home/setup_local.csh echo "export BDG_TOOL_GNUPLOT=\"/usr/bin/gnuplot\"" >> $autoPROC_home/setup_local.sh
The setting of the environment variable BDG_TOOL_GNUPLOT will ensure the use of the newly installed OS-version of "gnuplot".
Remember that CentOS8 will reach end-of-life on December 31, 2021, while CentOS7 is still supported til June 30th, 2024!
We've had reports (thanks to M. Peligro) that the STARANISO 2D plots are not generated correctly when running on a Fedora 34 Workstation system and using our supplied Gnuplot binary. This can be fixed by installing Gnuplot directly on the operating system level and then running autoPROC via
process gnuplot=/usr/bin/gnuplot ...
We had reports that the automatic exclusion of poor image ranges can give an incorrect DATA_RANGE value (with the first number larger than the second) with some very poor diffraction patterns. This will be fixed in the enxt release.
In the meantime, consider re-running the processing using
process autoPROC_AnalyseForPoorImageRanges=no ...