Though that would be useful information, I'm afraid that's not something
I've ever put together.
-greg
On Tue, Mar 15, 2016 at 6:26 PM, Yingfeng Wang <ywang...@gmail.com> wrote:
> Greg,
>
> Could you please give me an order of all libraries? Say, I want to link
> all RDKit static libraries. I know most of which could be unnecessary, but
> I just want to make my situation easy. So, if I cannot figure out a better
> plan, this way at least works.
>
> Thanks.
> Yingfeng
>
> On Mon, Mar 14, 2016 at 8:16 AM, Greg Landrum <greg.land...@gmail.com>
> wrote:
>
>>
>>
>> On Sat, Mar 12, 2016 at 5:00 AM, Yingfeng Wang <ywang...@gmail.com>
>> wrote:
>>
>>> Greg,
>>>
>>> Thanks. Your suggestion solves my problem. I add the following part in
>>> my compiling command.
>>>
>>> -L/Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/lib
>>> -lRDInchiLib -lInChi -lGraphMol -lRDGeneral
>>>
>>> and the complete compiling command is
>>>
>>> g++ -Wall -O2 -std=c++11 -I
>>> /Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/Code -I
>>> /Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/External -I
>>> /usr/local/Cellar/boost/1.60.0_1/include
>>> -L/Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/lib -lRDInchiLib
>>> -lInChi -lGraphMol -lRDGeneral -o MYTEST main.cpp
>>>
>>> Is there a way to figure out which library I should link? Actually, my
>>> backup plan is to link all libraries in
>>> /Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/lib
>>>
>>
>> That's one approach, but it's kind of overkill. :-)
>> The big thing is to know which library the functionality you are calling
>> comes from. You can generally tell this from the header files (i.e. if you
>> include something from "DataStructs", then you need to include the
>> DataStructs library). this isn't perfect because some libraries have
>> dependencies on others, but it often works The other approach is to look in
>> the RDKit source code at the CMakeLists.txt file for the libraries you are
>> using and look to see which extra libraries they include when building the
>> tests.
>>
>> This isn't very well documented. I think this kind of documentation is
>> tricky to generate, so I don't want to do it unless it's going to help a
>> large number of people, and it's not at all clear to me how many C++ RDKit
>> users there are.
>>
>> By the way, is there a way to guarantee that users using my binary file
>>> (e.g. MYTEST in this case) do not need to install RDKit? I tried -static,
>>> but it didn't work. For example, I hope a user can run MYTEST on another
>>> Mac without RDKit.
>>>
>>
>> If you link against the _static version of the libraries (i.e.
>> -lGraphMol_static instead of -lGraphMol), then you should end up with a
>> version that doesn't require an RDKit install to run. It can be trickier to
>> get these commands right because on many (all?) systems, there is an order
>> dependency to static linkage. So since SmilesParse_static depends on
>> GraphMol_static, GraphMol_static needs to appear *after* SmilesParse_static
>> in the link line.
>>
>> I hope this helps,
>> -greg
>>
>>
>>
>
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