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 <mckins...@debian.org> 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
