Your message dated Fri, 14 Nov 2014 00:19:23 +0000
with message-id <[email protected]>
and subject line Bug#769297: fixed in nwchem 6.5+r26243-3
has caused the Debian Bug report #769297,
regarding nwchem: basis sets not found
to be marked as done.
This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
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--
769297: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=769297
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Package: nwchem
Version: 6.5+r26243-1
Severity: important
Since 6.5, the basis sets are no longer found when run:
| warning:::::::::::::: from_compile
| NWCHEM_BASIS_LIBRARY is:
|</build/nwchem-8nohmr/nwchem-6.5+r26243/src/basis/libraries/>
| but file does not exist or you do not have access to it !
| Attempting to read a basis set from a non-existing file:
| /build/nwchem-8nohmr/nwchem-6.5+r26243/src/basis/libraries/6-31g
|
| ------------------------------------------------------------------------
| bas_tag_lib: failed opening basis file 0
| ------------------------------------------------------------------------
| input error at line 14: at end of line looking for character string
| O library 6-31g*
This is apparently due to 01_hardcode_basis-sets_location.patch not
being ported forward from 6.3
Michael
--- End Message ---
--- Begin Message ---
Source: nwchem
Source-Version: 6.5+r26243-3
We believe that the bug you reported is fixed in the latest version of
nwchem, which is due to be installed in the Debian FTP archive.
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to [email protected],
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Michael Banck <[email protected]> (supplier of updated nwchem package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing [email protected])
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Format: 1.8
Date: Thu, 13 Nov 2014 14:01:47 +0100
Source: nwchem
Binary: nwchem nwchem-data
Architecture: source amd64 all
Version: 6.5+r26243-3
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <[email protected]>
Changed-By: Michael Banck <[email protected]>
Description:
nwchem - High-performance computational chemistry software
nwchem-data - High-performance computational chemistry software (data files)
Closes: 767481 769297
Changes:
nwchem (6.5+r26243-3) unstable; urgency=medium
.
* debian/patches/02_makefile_flags.patch: Patch updated to remove additions
to $(FOPTIMIZE) which are not applicable to the baseline amd64
architecture (Closes: #767481).
* debian/patches/01_hardcode_basis-sets_location.patch: Reintroduced patch,
updated (Closes: #769297).
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