Bug 1220730 - Please package CP2K data directory
Summary: Please package CP2K data directory
Keywords:
Status: CLOSED ERRATA
Alias: None
Product: Fedora
Classification: Fedora
Component: cp2k
Version: 24
Hardware: Unspecified
OS: Unspecified
unspecified
unspecified
Target Milestone: ---
Assignee: Dominik 'Rathann' Mierzejewski
QA Contact: Fedora Extras Quality Assurance
URL:
Whiteboard:
Depends On:
Blocks:
TreeView+ depends on / blocked
 
Reported: 2015-05-12 09:47 UTC by Ole Schütt
Modified: 2016-05-07 12:07 UTC (History)
3 users (show)

Fixed In Version: cp2k-3.0-1.fc24
Doc Type: Bug Fix
Doc Text:
Clone Of:
Environment:
Last Closed: 2016-05-07 12:07:59 UTC
Type: Bug
Embargoed:


Attachments (Terms of Use)

Description Ole Schütt 2015-05-12 09:47:56 UTC
The data directory of CP2K contains important simulation parameters like basis-sets and pseudo-potentials, which are needed for every calculation. They should be package alongside the application binaries.

Furthermore, CP2K has a file-discovery mechanism for data files. To enable it the installation path of the data directory has to compiled into to the binary. In CP2K 2.6 this is achieved by setting the preprocessor Flag -D__DATA_DIR="\"<path>\"" (mind the double quotation). In CP2K 2.7 (trunk) one can simply set the DATA_DIR variable in the ARCH-file (without double quotation).

The novel CP2K-Calculator for ASE also relies on the file-discovery mechanism.

Comment 1 Jan Kurik 2015-07-15 14:10:18 UTC
This bug appears to have been reported against 'rawhide' during the Fedora 23 development cycle.
Changing version to '23'.

(As we did not run this process for some time, it could affect also pre-Fedora 23 development
cycle bugs. We are very sorry. It will help us with cleanup during Fedora 23 End Of Life. Thank you.)

More information and reason for this action is here:
https://fedoraproject.org/wiki/BugZappers/HouseKeeping/Fedora23

Comment 2 Dominik 'Rathann' Mierzejewski 2015-09-11 10:50:16 UTC
This is fixed in rawhide. I'll backport to f23 branch once the way of building shared libraries is decided.

Comment 3 Jan Kurik 2016-02-24 13:23:59 UTC
This bug appears to have been reported against 'rawhide' during the Fedora 24 development cycle.
Changing version to '24'.

More information and reason for this action is here:
https://fedoraproject.org/wiki/Fedora_Program_Management/HouseKeeping/Fedora24#Rawhide_Rebase

Comment 4 Fedora Update System 2016-04-18 00:09:59 UTC
elpa-2015.11.001-1.fc24 cp2k-3.0-1.fc24 has been submitted as an update to Fedora 24. https://bodhi.fedoraproject.org/updates/FEDORA-2016-bdffe45b7d

Comment 5 Fedora Update System 2016-04-18 18:51:42 UTC
cp2k-3.0-1.fc24, elpa-2015.11.001-1.fc24, openmx-3.7.10-4.fc24 has been pushed to the Fedora 24 testing repository. If problems still persist, please make note of it in this bug report.
See https://fedoraproject.org/wiki/QA:Updates_Testing for
instructions on how to install test updates.
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2016-bdffe45b7d

Comment 6 Fedora Update System 2016-05-07 12:07:50 UTC
cp2k-3.0-1.fc24, elpa-2015.11.001-1.fc24, openmx-3.7.10-4.fc24 has been pushed to the Fedora 24 stable repository. If problems still persist, please make note of it in this bug report.


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