After installing RDKit, I try to compile the following code in main.cpp,
#include <iostream>
#include <INCHI-API/inchi.h>
using namespace RDKit;
using namespace std;
int main(int argc, const char * argv[]) {
string curInchi =
"InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)";
InchiToInchiKey(curInchi);
//cout << "Hello, World!" << endl;
return 0;
}
with the following command,
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 -o MYTEST main.cpp
on my maverick Macbook. The RDKit has been installed at
/Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/
while boost is at
/usr/local/Cellar/boost/1.60.0_1/
The compiler information is
g++ -v
Configured with: --prefix=/Applications/Xcode.app/Contents/Developer/usr
--with-gxx-include-dir=/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX10.10.sdk/usr/include/c++/4.2.1
Apple LLVM version 6.0 (clang-600.0.57) (based on LLVM 3.5svn)
Target: x86_64-apple-darwin13.4.0
Thread model: posix
However, I got the following the error message.
Undefined symbols for architecture x86_64:
"RDKit::InchiToInchiKey(std::__1::basic_string<char,
std::__1::char_traits<char>, std::__1::allocator<char> > const&)",
referenced from:
_main in main-dd8650.o
ld: symbol(s) not found for architecture x86_64
clang: error: linker command failed with exit code 1 (use -v to see
invocation)
I am very sure inchi.h and inchi.cpp are available at
/Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/External/INCHI-API/
and function
std::string InchiToInchiKey(const std::string &inchi)
is defined in inchi.cpp.
Could you please give me some hints for solving this problem?
Thanks.
Yingfeng
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