Package: release.debian.org
Severity: normal
User: release.debian....@packages.debian.org
Usertags: unblock
Please unblock package nwchem
This fixes a FTBFS bug on a previously uncompiled architecture (arm64),
a serious miscompile which leads to SIGILL on some amd64 CPUs, and it
reintroduces a Debian-specific patch which makes nwchem find essential
data files at runtime.
The last one can be worked-around by setting an environment variable or
setting up a configuration file, but it should really just-work, as it
did for jessie.
Michael
unblock nwchem/6.5+r26243-4
-- System Information:
Debian Release: jessie/sid
APT prefers testing-updates
APT policy: (500, 'testing-updates'), (500, 'testing')
Architecture: amd64 (x86_64)
Foreign Architectures: i386
Kernel: Linux 3.16-2-amd64 (SMP w/4 CPU cores)
Locale: LANG=en_US.utf8, LC_CTYPE=en_US.utf8 (charmap=UTF-8)
Shell: /bin/sh linked to /bin/dash
diff -Nru nwchem-6.5+r26243/debian/changelog nwchem-6.5+r26243/debian/changelog
--- nwchem-6.5+r26243/debian/changelog 2014-10-12 00:22:00.000000000 +0200
+++ nwchem-6.5+r26243/debian/changelog 2014-11-23 17:36:00.000000000 +0100
@@ -1,3 +1,20 @@
+nwchem (6.5+r26243-4) unstable; urgency=medium
+
+ * debian/patches/02_makefile_flags.patch: Patch updated, to remove -m64 from
+ compiler flags on arm64 (Closes: #769525).
+
+ -- Michael Banck <mba...@debian.org> Sun, 23 Nov 2014 17:35:50 +0100
+
+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).
+
+ -- Michael Banck <mba...@debian.org> Thu, 13 Nov 2014 14:01:47 +0100
+
nwchem (6.5+r26243-2) unstable; urgency=medium
* debian/patches/14_fix_ga_download.patch: Updated to surpress unnecessary
diff -Nru
nwchem-6.5+r26243/debian/patches/01_hardcode_basis-sets_location.patch
nwchem-6.5+r26243/debian/patches/01_hardcode_basis-sets_location.patch
--- nwchem-6.5+r26243/debian/patches/01_hardcode_basis-sets_location.patch
1970-01-01 01:00:00.000000000 +0100
+++ nwchem-6.5+r26243/debian/patches/01_hardcode_basis-sets_location.patch
2014-11-12 23:53:21.000000000 +0100
@@ -0,0 +1,33 @@
+Index: nwchem-6.5+r26243/src/basis/bas_input.F
+===================================================================
+--- nwchem-6.5+r26243.orig/src/basis/bas_input.F
++++ nwchem-6.5+r26243/src/basis/bas_input.F
+@@ -1180,12 +1180,11 @@ c
+ noslash=.false.
+ calls = calls + 1
+ if (debug) write(luout,*)' calls:calls: ',calls
+- call util_nwchem_srcdir(compiled_name)
++c call util_nwchem_srcdir(compiled_name)
+ c
+ c add here basis/libraries bit
+ c
+- compiled_name=compiled_name(1:inp_strlen(compiled_name))
+- $ //"/basis/libraries/"
++ compiled_name="/usr/share/nwchem/libraries/"
+ *
+ * order of precedence for choosing name
+ * 1) value of NWCHEM_BASIS_LIBRARY environment variable
+Index: nwchem-6.5+r26243/src/nwpw/libraryps/nwpw_libfile.F
+===================================================================
+--- nwchem-6.5+r26243.orig/src/nwpw/libraryps/nwpw_libfile.F
++++ nwchem-6.5+r26243/src/nwpw/libraryps/nwpw_libfile.F
+@@ -118,8 +118,7 @@ c &NWPW_LIBRARY
+ c
+ c add here nwpw/libraryps bit
+ c
+- libname=libname(1:inp_strlen(libname))
+- & //"/nwpw/libraryps/"
++ libname="/usr/share/nwchem/libraryps/"
+ if (util_find_dir(libname)) then
+ goto 99
+ else
diff -Nru nwchem-6.5+r26243/debian/patches/02_makefile_flags.patch
nwchem-6.5+r26243/debian/patches/02_makefile_flags.patch
--- nwchem-6.5+r26243/debian/patches/02_makefile_flags.patch 2014-09-28
12:35:42.000000000 +0200
+++ nwchem-6.5+r26243/debian/patches/02_makefile_flags.patch 2014-11-23
17:35:47.000000000 +0100
@@ -1,7 +1,7 @@
-Index: nwchem-6.5/src/config/makefile.h
+Index: nwchem-6.5+r26243/src/config/makefile.h
===================================================================
---- nwchem-6.5.orig/src/config/makefile.h
-+++ nwchem-6.5/src/config/makefile.h
+--- nwchem-6.5+r26243.orig/src/config/makefile.h
++++ nwchem-6.5+r26243/src/config/makefile.h
@@ -1384,7 +1384,7 @@ endif
endif
@@ -54,10 +54,50 @@
_G77V33= $(shell g77 -v 2>&1|egrep spec|head -n 1|awk ' /3.3/ {print
"Y"}')
ifeq ($(FC),g77)
-Index: nwchem-6.5/src/peigs/DEFS
+@@ -1758,13 +1758,6 @@
+ endif
+ FOPTIMIZE = -O2
+ ifeq ($(_FC),gfortran)
+- ifeq ($(_CPU),aarch64)
+- DONTHAVEM64OPT=Y
+- endif
+- ifneq ($(DONTHAVEM64OPT),Y)
+- FOPTIONS = -m64
+- COPTIONS = -m64
+- endif
+ COPTIONS += -Wall
+ FOPTIONS += -ffast-math #-Wunused
+ FOPTIMIZE += -ffast-math -Wuninitialized
+@@ -2125,25 +2118,12 @@
+ endif
+ LINK.f = $(FC) $(LDFLAGS)
+ FOPTIMIZE += -O3
+- FOPTIMIZE += -mfpmath=sse -ffast-math
+- FOPTIMIZE += -fprefetch-loop-arrays #-ftree-loop-linear
+ FDEBUG += -g -O
+ ifdef USE_F2C
+ #possible segv with use of zdotc (e.g. with GOTO BLAS)
+ #http://gcc.gnu.org/bugzilla/show_bug.cgi?id=20178
+ FOPTIONS += -ff2c -fno-second-underscore
+ endif
+- ifeq ($(GNU_GE_4_6),true)
+- FOPTIMIZE += -march=native -mtune=native
+- else
+- ifeq ($(_GOT3DNOW),Y)
+-#we guess its an opteron
+- FOPTIMIZE += -march=opteron -mtune=opteron
+- else
+-#we guess its a nocona em64t
+- FOPTIMIZE += -march=nocona -mtune=nocona
+- endif
+- endif
+ # FVECTORIZE += -ftree-vectorize -ftree-vectorizer-verbose=1
+ endif
+ ifeq ($(_FC),crayftn)
+Index: nwchem-6.5+r26243/src/peigs/DEFS
===================================================================
---- nwchem-6.5.orig/src/peigs/DEFS
-+++ nwchem-6.5/src/peigs/DEFS
+--- nwchem-6.5+r26243.orig/src/peigs/DEFS
++++ nwchem-6.5+r26243/src/peigs/DEFS
@@ -68,7 +68,7 @@ peigs_FC = $(FC) $(FOPTIONS) $(FOPTIMIZE
# this is needed because -DCRAY-T3E cannot be a macro definition it should be
-DCRAY_T3E
#
diff -Nru nwchem-6.5+r26243/debian/patches/series
nwchem-6.5+r26243/debian/patches/series
--- nwchem-6.5+r26243/debian/patches/series 2014-10-10 17:44:01.000000000
+0200
+++ nwchem-6.5+r26243/debian/patches/series 2014-11-12 16:07:57.000000000
+0100
@@ -1,3 +1,4 @@
+01_hardcode_basis-sets_location.patch
02_makefile_flags.patch
03_hurd-i386_define_path_max.patch
04_show_testsuite_diff_output.patch
