Bug 1274090 - Build with high-level coupled cluster methods
Summary: Build with high-level coupled cluster methods
Keywords:
Status: CLOSED ERRATA
Alias: None
Product: Fedora
Classification: Fedora
Component: nwchem
Version: 22
Hardware: Unspecified
OS: Unspecified
unspecified
unspecified
Target Milestone: ---
Assignee: Susi Lehtola
QA Contact: Fedora Extras Quality Assurance
URL:
Whiteboard:
Depends On:
Blocks:
TreeView+ depends on / blocked
 
Reported: 2015-10-21 21:21 UTC by Susi Lehtola
Modified: 2015-11-08 09:49 UTC (History)
1 user (show)

Fixed In Version: nwchem-6.5.26243-21.fc23 nwchem-6.5.26243-21.fc22
Doc Type: Bug Fix
Doc Text:
Clone Of:
Environment:
Last Closed: 2015-11-08 06:52:30 UTC
Type: Bug
Embargoed:

Attachments (Terms of Use)

Description Susi Lehtola 2015-10-21 21:21:22 UTC 
Nwchem isn't compiled with high-level coupled clusters (CCSDTQ) enabled, barring its use. Please build with CCSDTQ=y and CCSDTLR=y, ref.

https://github.com/jeffhammond/HPCInfo/wiki/NWChem#nwchem-build-customization
Comment 1 Susi Lehtola 2015-10-24 03:43:57 UTC 
This is such a trivial thing to do, I'll just go ahead and handle it myself.
Comment 2 Fedora Update System 2015-10-24 23:13:41 UTC 
nwchem-6.5.26243-21.fc23 has been submitted as an update to Fedora 23. https://bodhi.fedoraproject.org/updates/FEDORA-2015-cb7ef15b90
Comment 3 Fedora Update System 2015-10-24 23:13:41 UTC 
nwchem-6.5.26243-21.fc22 has been submitted as an update to Fedora 22. https://bodhi.fedoraproject.org/updates/FEDORA-2015-9cc690a6d2
Comment 4 Fedora Update System 2015-10-27 02:19:40 UTC 
nwchem-6.5.26243-21.fc23 has been pushed to the Fedora 23 testing repository. If problems still persist, please make note of it in this bug report.
If you want to test the update, you can install it with
$ su -c 'dnf --enablerepo=updates-testing update nwchem'
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2015-cb7ef15b90
Comment 5 Fedora Update System 2015-10-28 20:26:38 UTC 
nwchem-6.5.26243-21.fc22 has been pushed to the Fedora 22 testing repository. If problems still persist, please make note of it in this bug report.
If you want to test the update, you can install it with
$ su -c 'dnf --enablerepo=updates-testing update nwchem'
You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2015-9cc690a6d2
Comment 6 Fedora Update System 2015-11-08 06:52:28 UTC 
nwchem-6.5.26243-21.fc23 has been pushed to the Fedora 23 stable repository. If problems still persist, please make note of it in this bug report.
Comment 7 Fedora Update System 2015-11-08 09:49:50 UTC 
nwchem-6.5.26243-21.fc22 has been pushed to the Fedora 22 stable repository. If problems still persist, please make note of it in this bug report.
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