Your message dated Sun, 07 Feb 2016 12:49:56 +0000
with message-id <[email protected]>
and subject line Bug#813799: fixed in cp2k 2.6.2-2
has caused the Debian Bug report #813799,
regarding cp2k FTBFS with openmpi1.10
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.
(NB: If you are a system administrator and have no idea what this
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misconfiguration somewhere. Please contact [email protected]
immediately.)
--
813799: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=813799
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Source: cp2k
Severity: important
Tags: patch
CP2K fails to build with openmpi1.10. A patch is attached.
Note that this also depends the following being fixed first:
(1) FFTW rebuild (just done)
(2) scalapack fix. Bug #813498
(3) mpi-default-dev. Bug #813494
best regards
Alastair
-- System Information:
Debian Release: 8.2
APT prefers stable-updates
APT policy: (500, 'stable-updates'), (500, 'stable')
Architecture: i386 (i686)
Kernel: Linux 3.16.0-4-686-pae (SMP w/1 CPU core)
Locale: LANG=en_IE.UTF-8, LC_CTYPE=en_IE.UTF-8 (charmap=UTF-8) (ignored: LC_ALL
set to en_IE.UTF-8)
Shell: /bin/sh linked to /bin/dash
Init: systemd (via /run/systemd/system)
diff -urN cp2k-2.6.2.orig/debian/changelog cp2k-2.6.2/debian/changelog
--- cp2k-2.6.2.orig/debian/changelog 2015-11-22 18:08:11.000000000 +0000
+++ cp2k-2.6.2/debian/changelog 2016-02-03 09:57:51.687161903 +0000
@@ -1,3 +1,10 @@
+cp2k (2.6.2-1.1) UNRELEASED; urgency=medium
+
+ * Non-maintainer upload.
+ * Fix for openmpi1.10 transition
+
+ -- Alastair McKinstry <[email protected]> Wed, 03 Feb 2016 09:57:40 +0000
+
cp2k (2.6.2-1) unstable; urgency=medium
* New upstream point release.
diff -urN cp2k-2.6.2.orig/debian/patches/makeflags.patch cp2k-2.6.2/debian/patches/makeflags.patch
--- cp2k-2.6.2.orig/debian/patches/makeflags.patch 2015-11-22 18:02:03.000000000 +0000
+++ cp2k-2.6.2/debian/patches/makeflags.patch 2016-02-03 09:58:50.685853196 +0000
@@ -41,7 +41,7 @@
+CPPFLAGS = -C -traditional $(DFLAGS)
+FCFLAGS = -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none $(DFLAGS) -I/usr/include/elpa/modules/
+LDFLAGS = $(FCFLAGS)
-+LIBS = -llapack -lblas -lfftw3 -lint -lderiv -lxc -lmpi -lmpif90 -lmpif77 $(LIB_BLACS) $(LIB_SCALAPACK) -lelpa
++LIBS = -llapack -lblas -lfftw3 -lint -lderiv -lxc $$(pkg-config mpi-fort --libs) $(LIB_BLACS) $(LIB_SCALAPACK) -lelpa
Index: cp2k-2.5.0/arch/Linux-generic-gfortran.psmp
===================================================================
--- /dev/null 1970-01-01 00:00:00.000000000 +0000
@@ -63,4 +63,4 @@
+CPPFLAGS = -C -traditional $(DFLAGS) -I/usr/include/elpa/modules/
+FCFLAGS = -g -Wall -O2 -fopenmp -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none $(DFLAGS) -I/usr/include/elpa/modules/
+LDFLAGS = $(FCFLAGS)
-+LIBS = -llapack -lblas -lfftw3 -lfftw3_threads -lint -lderiv -lxc -lmpi -lmpif90 -lmpif77 $(LIB_BLACS) $(LIB_SCALAPACK) -lelpa
++LIBS = -llapack -lblas -lfftw3 -lfftw3_threads -lint -lderiv -lxc $$(pkg-config mpi-fort --libs) $(LIB_BLACS) $(LIB_SCALAPACK) -lelpa
--- End Message ---
--- Begin Message ---
Source: cp2k
Source-Version: 2.6.2-2
We believe that the bug you reported is fixed in the latest version of
cp2k, 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 cp2k 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: Sun, 07 Feb 2016 13:05:29 +0100
Source: cp2k
Binary: cp2k cp2k-data
Architecture: source
Version: 2.6.2-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <[email protected]>
Changed-By: Michael Banck <[email protected]>
Description:
cp2k - Ab Initio Molecular Dynamics
cp2k-data - Ab Initio Molecular Dynamics (data files)
Closes: 813799
Changes:
cp2k (2.6.2-2) unstable; urgency=medium
.
* debian/patches/elpa2_support.patch: New patch to support ELPA2 interface,
taken from upstream revisions 15202 and 15213.
* debian/patches/makeflags.patch: Updated for openmpi-1.10, thanks to
Alastair McKinstry (Closes: #813799).
* debian/control (Build-Depends): Added pkg-config.
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