Bug 201266 - [NEW PORT] science/libxc: Library of exchange-correlation functionals
Summary: [NEW PORT] science/libxc: Library of exchange-correlation functionals
Status: Closed FIXED
Alias: None
Product: Ports & Packages
Classification: Unclassified
Component: Individual Port(s) (show other bugs)
Version: Latest
Hardware: Any Any
: --- Affects Only Me
Assignee: Alexey Dokuchaev
URL:
Keywords: needs-qa, patch
Depends on:
Blocks:
 
Reported: 2015-07-02 08:34 UTC by Johannes M Dieterich
Modified: 2015-10-26 10:12 UTC (History)
3 users (show)

See Also:

Attachments
shar archive with the new port (2.28 KB, text/plain)
2015-07-02 08:34 UTC, Johannes M Dieterich 		no flags Details
new version of the port (2.45 KB, text/plain)
2015-08-09 18:26 UTC, Johannes M Dieterich 		no flags Details
Show Obsolete (1) View All Add an attachment (proposed patch, testcase, etc.)

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Description Johannes M Dieterich freebsd_committer freebsd_triage 2015-07-02 08:34:55 UTC 
Created attachment 158250 [details]
shar archive with the new port

libxc is a library of exchange-correlation functionals for the use in density functional theory. It is widely used within the community and hence is required for other programs from that realm to be ported in the future.

The port is straightforward and features the latest stable upstream release.
Comment 1 Bartek Rutkowski freebsd_committer freebsd_triage 2015-08-05 14:56:41 UTC 
The port fails to build like that:

http://pd.valinor.palantiri.org/data/93amd64-default/2015-08-05_16h54m28s/logs/errors/libxc-2.1.2.log
Comment 2 Johannes M Dieterich freebsd_committer freebsd_triage 2015-08-05 19:28:47 UTC 
Dear Bartek,

thanks for taking the time to look into the patch. Could you attach your work/src/config.log?

I am building the port on 11-CURRENT, do I see this correctly that this is a 9.3?

Thanks!
Comment 3 Johannes M Dieterich freebsd_committer freebsd_triage 2015-08-09 18:26:54 UTC 
Created attachment 159699 [details]
new version of the port

Please find attached an improved version of this port (more uses, ran this through poudriere). Note: FreeBSD 9.3 will NOT be supported as it does not provide the needed implementations for expl and logl in libm.
Comment 4 commit-hook freebsd_committer freebsd_triage 2015-10-26 10:10:40 UTC 
A commit references this bug:

Author: danfe
Date: Mon Oct 26 10:10:11 UTC 2015
New revision: 400179
URL: https://svnweb.freebsd.org/changeset/ports/400179

Log:
  Add a port of Libxc, a library of exchange-correlation functionals for
  density-functional theory.

  PR:		201266 (modified)
  Submitted by:	Johannes Dieterich

Changes:
  head/science/Makefile
  head/science/libxc/
  head/science/libxc/Makefile
  head/science/libxc/distinfo
  head/science/libxc/pkg-descr
  head/science/libxc/pkg-plist
Comment 5 Alexey Dokuchaev freebsd_committer freebsd_triage 2015-10-26 10:12:46 UTC 
Port wad added (as of ports r400179) with minor modifications and cleanups, thank you!  Note that FreeBSD 9.3 is supported as it can take implementations for expl() and logl() from the `math/ldouble' port.