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This repository has been archived by the owner on Sep 28, 2021. It is now read-only.
Currently there are two folder where XTP stores configuration files:
share/packages
share/xtp/xml
The content of the first folder is installed at ${VOTCASHARE}/votca/xtp/packages and the second to ${VOTCASHARE}/votca/xtp/xml
Both the actual source path and the installation path are used in different parts for configuration, installation, running the CI and running the actual calculation by the user.
These paths are the cause of many misconfigurations and problems calling the runners.
For example, the votca_xtp target properties are set like:
The problem
Currently there are two folder where XTP stores configuration files:
The content of the first folder is installed at
${VOTCASHARE}/votca/xtp/packages
and the second to${VOTCASHARE}/votca/xtp/xml
Both the actual source path and the installation path are used in different parts for configuration, installation, running the CI and running the actual calculation by the user.
These paths are the cause of many misconfigurations and problems calling the runners.
For example, the
votca_xtp
target properties are set like:The
VOTCA_SHARE
variable is pointing correctly to the calculators configuration but erroneously to the package path.The solution
Move the content of
share/packages
intoshare/xtp/xml
.TODO
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