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ambrishroy / LIGSIFT

LIGSIFT: An open-source tool for ligand structural alignment and virtual screening
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Unable to Install #5

Open kimlabSchatterjee opened 2 years ago

kimlabSchatterjee commented 2 years ago

I am using Linuxmint 19.2

I set the pat as per instruction . I received following error. (base) kimlab@kimlab:/media/kimlab/D_Drive/Software/LIGSIFT-master$ make -j5 g++ -c -O3 -Wall -I/usr/local/include/openbabel3/openbabel main.cpp g++ -c -O3 -Wall -I/usr/local/include/openbabel3/openbabel Smallmolecule.cpp -o sm.o In file included from /usr/include/c++/7/clocale:42:0, from /usr/include/x86_64-linux-gnu/c++/7/bits/c++locale.h:41, from /usr/include/c++/7/bits/localefwd.h:40, from /usr/include/c++/7/string:43, from Smallmolecule.h:4, from Smallmolecule.cpp:1: /usr/local/include/openbabel3/openbabel/locale.h:23:10: fatal error: openbabel/babelconfig.h: No such file or directory

include <openbabel/babelconfig.h>

      ^~~~~~~~~~~~~~~~~~~~~~~~~

compilation terminated. Makefile:38: recipe for target 'sm.o' failed make: [sm.o] Error 1 make: Waiting for unfinished jobs.... In file included from /usr/include/c++/7/clocale:42:0, from /usr/include/x86_64-linux-gnu/c++/7/bits/c++locale.h:41, from /usr/include/c++/7/bits/localefwd.h:40, from /usr/include/c++/7/ios:41, from /usr/include/c++/7/ostream:38, from /usr/include/c++/7/iostream:39, from main.cpp:11: /usr/local/include/openbabel3/openbabel/locale.h:23:10: fatal error: openbabel/babelconfig.h: No such file or directory

include <openbabel/babelconfig.h>

      ^~~~~~~~~~~~~~~~~~~~~~~~~

compilation terminated. Makefile:35: recipe for target 'main.o' failed make: *** [main.o] Error 1

Kindly help

LionThu1 commented 3 months ago

Hi, While trying to install, I ran into the same error. Have you been able to find a solution to the problem?

Would it work with Obabel 2.4, the internal file structure of obabel seems to have changed somewhat between version?

(Using Ubuntu)

LionThu1 commented 3 months ago

Update. Made it work.

It works with Obabel 2.4.1; you can get the old versions from Git Hub and then build from the source. It helped me install it as described in the README, especially setting a -DCMAKE Libary like in step 3. (e) . (note ../openbabel does not exist when executed from obbuild/, you have to modify it like this: (cmake .. -DCMAKE_INSTALL_PREFIX=/home/$USRNAME/bin/) )

Then, in ~/bin/, you will find a bin/, lib/ and include/ folder, which the Makefile asks for. in the makefile it would then look like this: INCLUDE =-I/home/$USRNAME/bin/include/openbabel-2.0, and simular for the other paths.

But then it will compile and run. Tested with the newest Ubuntu and GCC-11 .