Thanks Greg
I have now tried using boost 1.56 (the cmake configuration once BOOST_ROOT is
set is a little different vs. 1.55…). Either way I can’t seem to build with
threadsafe/multithreaded support – but perhaps we should draw a line under it
for now / follow-up ‘off-line’(?).
The good news is that (with the thread settings OFF) the changes you checked-in
(rev5616) have indeed sorted the MolHash piece, and all tests pass – thanks!
Kind regards
James
From: Greg Landrum [mailto:[email protected]]
Sent: 14 April 2015 05:35
To: James Davidson
Cc: [email protected]
Subject: Re: [Rdkit-discuss] Problem building recent revisions on Windows
Hi James
Thanks for your patience here. I will invest the time in trying to get
automated builds happening on this Windows side so that this stops happening.
I just pushed some changes that should clear up the MolHash-related build
problems. I had forgotten that that bit of code still needed to be tested on
Windows. I haven't tested building the cartridge on Windows (I'm not set up to
do that), but the python wrappers definitely do build for me now with both
RDK_BUILD_THREADSAFE_SSS and RDK_TEST_MULTITHREADED set to ON. I don't think it
should make a difference, but just in case: I am doing this using boost 1.56.
Best,
-greg
On Mon, Apr 13, 2015 at 11:30 AM, James Davidson
<[email protected]<mailto:[email protected]>> wrote:
Here’s an update:
Tried building rev5211, but saw similar linking errors (to do with Boost
threading libraries). The most recent build that I have successfully managed
without the errors is rev5016.
It occurred to me that a couple of my cmake options relate to threading
(RDK_BUILD_THREADSAFE=ON; RDK_TEST_MULTITHREADED=ON) – and perhaps other people
(Greg, Paolo) with successful Windows builds had these set OFF (default)(?).
Indeed, if I set both of these to OFF, I can successfully build rev5211, and
all of the tests pass.
So this is good – but I still don’t understand what has changed (in relation to
Boost threading) that means that later versions don’t build…
Threading aside, I was now feeling pretty confident that I would be ok to build
the latest revision (rev5611). Unfortunately this was not the case – I
initially hit a problem with MolHash.cpp, which I thought was down to MSVC
being stupid about snprintf() (line 265). After a little stack-overflowing, I
thought changing this to _snprintf() would solve the problem – which it appears
to (at least MolHash.cpp now compiles), but then I get a couple of further
errors down-stream (probably related to the change I made?):
Error 1 error LNK2019: unresolved external symbol "class
std::basic_string<char,struct std::char_traits<char>,class std::allocator<char>
> __cdecl RDKit::Descriptors::calcMolFormula(class RDKit::ROMol const
&,bool,bool)"
(?calcMolFormula@Descriptors@RDKit@@YA?AV?$basic_string@DU?$char_traits@D@std@@V?$allocator@D@2@@std@@AEBVROMol@2@_N1@Z)
referenced in function "void __cdecl
RDKit::MolHash::generateMoleculeHashSet(class RDKit::ROMol const &,struct
RDKit::MolHash::HashSet &,class std::vector<unsigned int,class
std::allocator<unsigned int> > const *,class std::vector<unsigned int,class
std::allocator<unsigned int> > const *)"
(?generateMoleculeHashSet@MolHash@RDKit@@YAXAEBVROMol@2@AEAUHashSet@12@PEBV?$vector@IV?$allocator@I@std@@@std@@2@Z)
C:\RDKit\build\Code\GraphMol\MolHash\Wrap\MolHash.lib(MolHash.obj)
rdMolHash
Error 2 error LNK1120: 1 unresolved externals
C:\RDKit\build\rdkit\Chem\Release\rdMolHash.pyd rdMolHash
So I guess it would still be good to understand the threading issue (or at
least for someone else to be able to reproduce it); and perhaps the observed
MolHash issue is an easier one to sort(?)
Kind regards
James
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