Bug#687074: unblock: rdkit/201203-3

2012-09-09 Thread Michael Banck
Hi,

On Sun, Sep 09, 2012 at 03:42:52PM +0100, Adam D. Barratt wrote:
> On Sun, 2012-09-09 at 13:21 +0200, Michael Banck wrote:
> > Please unblock package rdkit, it fixes big-endian architectures and
> > re-enables the test suite. See e.g.
> > https://buildd.debian.org/status/fetch.php?pkg=rdkit&arch=mips&ver=201203-1&stamp=1337431768
> > vs.
> > https://buildd.debian.org/status/fetch.php?pkg=rdkit&arch=mips&ver=201203-3&stamp=1343568733
> > 
> > (201203-2 had the test suite disabled, so it built successfully on e.g.
> > mips).  
> 
> Presumably this means that the version of the package in testing is
> broken on several architectures, despite having built successfully?

Some parts of the functionality is broken on big endian architectures in
testing right now, yes.

> What's the effect on the package of disabling the functionality which
> the patch adds "if(RDK_BIG_ENDIAN)" guards around?

This is what Greg wrote me:

|I had to disable some of the "extra" functionality (clustering and one
|of the feature-selection algorithms, both of which are built on code
|that I didn't write and where it would take a while to diagnose the
|problems), but those don't impact the core cheminformatics aspects.

So this patch fixes the core, and disables some add-ons on big endian
architectures.


Cheers,

Michael


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Processed: Re: Bug#687074: unblock: rdkit/201203-3

2012-09-09 Thread Debian Bug Tracking System
Processing control commands:

> tags -1 + moreinfo
Bug #687074 [release.debian.org] unblock: rdkit/201203-3
Added tag(s) moreinfo.

-- 
687074: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=687074
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Bug#687074: unblock: rdkit/201203-3

2012-09-09 Thread Adam D. Barratt
Control: tags -1 + moreinfo

On Sun, 2012-09-09 at 13:21 +0200, Michael Banck wrote:
> Please unblock package rdkit, it fixes big-endian architectures and
> re-enables the test suite. See e.g.
> https://buildd.debian.org/status/fetch.php?pkg=rdkit&arch=mips&ver=201203-1&stamp=1337431768
> vs.
> https://buildd.debian.org/status/fetch.php?pkg=rdkit&arch=mips&ver=201203-3&stamp=1343568733
> 
> (201203-2 had the test suite disabled, so it built successfully on e.g.
> mips).  

Presumably this means that the version of the package in testing is
broken on several architectures, despite having built successfully?
What's the effect on the package of disabling the functionality which
the patch adds "if(RDK_BIG_ENDIAN)" guards around?

Regards,

Adam


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Bug#687074: unblock: rdkit/201203-3

2012-09-09 Thread Michael Banck
Package: release.debian.org 


Severity: normal


User: release.debian@packages.debian.org


Usertags: unblock   





Please unblock package rdkit, it fixes big-endian architectures and
re-enables the test suite. See e.g.
https://buildd.debian.org/status/fetch.php?pkg=rdkit&arch=mips&ver=201203-1&stamp=1337431768
vs.
https://buildd.debian.org/status/fetch.php?pkg=rdkit&arch=mips&ver=201203-3&stamp=1343568733

(201203-2 had the test suite disabled, so it built successfully on e.g.
mips).  

The corresponding patch has been developped by upstream on one of the
Debian porter boxes and consists of four subversion revisions, see
changelog.  The debdiff is attached.

unblock rdkit/201203-3




Thanks in advance, regards  





Michael
diff -Nru rdkit-201203/debian/changelog rdkit-201203/debian/changelog
--- rdkit-201203/debian/changelog   2012-06-12 13:45:12.0 +0200
+++ rdkit-201203/debian/changelog   2012-07-28 21:18:54.0 +0200
@@ -1,3 +1,12 @@
+rdkit (201203-3) unstable; urgency=low
+
+  * debian/patches/big-endian_support.patch: New patch, fixes big-endian
+architectures, taken from upstream revisions 2071, 2079, 2080 and 2140.
+  * debian/rules (override_dh_auto_test): Activate testsuite again 
+(Closes: #678188).
+
+ -- Michael Banck   Sat, 28 Jul 2012 21:18:42 +0200
+
 rdkit (201203-2) unstable; urgency=low
 
   * debian/rules (override_dh_auto_test): Deactivated for now 
diff -Nru rdkit-201203/debian/patches/big-endian_support.patch 
rdkit-201203/debian/patches/big-endian_support.patch
--- rdkit-201203/debian/patches/big-endian_support.patch1970-01-01 
01:00:00.0 +0100
+++ rdkit-201203/debian/patches/big-endian_support.patch2012-07-28 
19:38:13.0 +0200
@@ -0,0 +1,653 @@
+Description: Upstream changes to support big-endian architectures
+ This patch consists of upstream revisions 2071, 2079, 2080 and 2140.
+Author: Greg Landrum
+Origin: upstream
+Bug-Debian: http://bugs.debian.org/670054
+Last-Update: 2012-07-28
+
+--- rdkit-201203.orig/CMakeLists.txt
 rdkit-201203/CMakeLists.txt
+@@ -26,6 +26,9 @@ option(RDK_INSTALL_STATIC_LIBS "install
+ option(RDK_BUILD_SLN_SUPPORT "include support for the SLN format" ON )
+ option(RDK_TEST_MULTITHREADED "run some tests of multithreading" OFF )
+ 
++include(TestBigEndian)
++TEST_BIG_ENDIAN(RDK_BIG_ENDIAN)
++
+ # At build time put runtime binaries in the bin subdirectory
+ set(RDK_RUNTIME_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/bin")
+ set(RDK_LIBRARY_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/lib")
+--- rdkit-201203.orig/Code/CMakeLists.txt
 rdkit-201203/Code/CMakeLists.txt
+@@ -15,7 +15,11 @@ add_subdirectory(GraphMol)
+ add_subdirectory(Query)
+ 
+ add_subdirectory(DataManip)
+-add_subdirectory(SimDivPickers)
++if(RDK_BIG_ENDIAN)
++  message("Skipping build of SimDivPickers on big endian system")
++else(RDK_BIG_ENDIAN)
++  add_subdirectory(SimDivPickers)
++endif(RDK_BIG_ENDIAN)
+ 
+ add_subdirectory(ML)
+ add_subdirectory(ChemicalFeatures)
+--- rdkit-201203.orig/Code/DataStructs/BitVect.cpp
 rdkit-201203/Code/DataStructs/BitVect.cpp
+@@ -40,7 +40,7 @@ void BitVect::initFromText(const char *d
+   
+   // earlier versions of the code did not have the version number encoded, so
+   //  we'll use that to distinguish version 0
+-  ss.read((char *)&size,sizeof(size));
++  RDKit::streamRead(ss,size);
+   if(size<0){
+ version = -1*size;
+ if (version == 16) {
+@@ -52,12 +52,12 @@ void BitVect::initFromText(const char *d
+ else {
+   throw ValueErrorException("bad ver