Your message dated Thu, 06 Sep 2018 08:10:27 +0000
with message-id <[email protected]>
and subject line Bug#901060: fixed in lammps 0~20180822.gitb47e49223+dfsg1-1
has caused the Debian Bug report #901060,
regarding lammps: generate irreducible q-points with spglib
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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--
901060: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=901060
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Package: lammps
Severity: wishlist
lammps has an optional feature to generate irreducible q-points set via spglib,
which is now packaged in Debian. I attach a patch to enable this feature.
lammps must build-depend on libsymspg-dev in order to use it.
Best,
Andrius
--
Andrius Merkys
Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
LT-10257 Vilnius, Lithuania
Description: link against libsymspg-dev to provide the functionality to
produce irreducible q-points with spglib.
Author: Andrius Merkys <[email protected]>
--- a/tools/phonon/Makefile
+++ b/tools/phonon/Makefile
@@ -16,9 +16,9 @@
# spglib 1.8.2, used to get the irreducible q-points
# if UFLAG is not set, spglib won't be used.
-# UFLAG = -DUseSPG
-# SPGINC = -I/opt/libs/spglib/1.8.2/include
-# SPGLIB = -L/opt/libs/spglib/1.8.2/lib -lsymspg
+UFLAG = -DUseSPG
+SPGINC =
+SPGLIB = -lsymspg
# if spglib other than version 1.8.2 is used, please
# modify file phonon.cpp, instruction can be found by searching 1.8.2
--- End Message ---
--- Begin Message ---
Source: lammps
Source-Version: 0~20180822.gitb47e49223+dfsg1-1
We believe that the bug you reported is fixed in the latest version of
lammps, 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.
Anton Gladky <[email protected]> (supplier of updated lammps 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])
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Hash: SHA512
Format: 1.8
Date: Wed, 05 Sep 2018 23:13:17 +0200
Source: lammps
Binary: lammps lammps-doc lammps-data
Architecture: source all amd64
Version: 0~20180822.gitb47e49223+dfsg1-1
Distribution: unstable
Urgency: medium
Maintainer: Debian Science Maintainers
<[email protected]>
Changed-By: Anton Gladky <[email protected]>
Description:
lammps - Molecular Dynamics Simulator
lammps-data - Molecular Dynamics Simulator. Data (potentials)
lammps-doc - Molecular Dynamics Simulator. Documentation and examples
Closes: 901060
Changes:
lammps (0~20180822.gitb47e49223+dfsg1-1) unstable; urgency=medium
.
[ Anton Gladky ]
* [ceb6296] Update patches
* [ffd7251] Add lammps-data binary
* [31838f8] Switch to cmake build system
* [50340be] Update d/copyright
* [86e8141] New upstream version 0~20180822.gitb47e49223+dfsg1
* [d3bd62d] Update address of FSF
* [9a1d41f] Update autopkgtests
* [24aefb7] Add NEWS-file
.
[ Andrius Merkys ]
* [d4bfbf3] Link against libsymspg-dev. (Closes: #901060)
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--- End Message ---
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