[Dock-fans] Error message on installation

Julio Dominguez acheron24 at hotmail.com
Tue Jun 14 14:22:11 PDT 2016


FYI, to compile dock in MPI I have only been successful using Intel compilers. If anybody has those and want me to share my config file just let me know.
Best regards

Date: Fri, 25 Sep 2015 17:13:04 -0400
From: dwight.mcgee at gmail.com
To: sbrozell at rci.rutgers.edu
CC: res48 at leicester.ac.uk; dock-fans at docking.org
Subject: Re: [Dock-fans] Error message on installation

Hi,

I also have the OSX Yosemite and I have been able to successfully compile DOCK6.7 on my MAC using GCC 4.8, which I installed through macports. 

If you wanted to used the compilers built by macports you can follow the link (jason swails wiki) that Scott posted in his previous email.


Best,
Dwight

On Fri, Sep 25, 2015 at 4:45 PM, Scott Brozell <sbrozell at rci.rutgers.edu> wrote:
Hi,



Your compiler versions are inconsistent:

> Apple LLVM version 7.0.0 (clang-700.0.72)

> gcc version 5.1.0 (GCC)



I suggest that you follow the general mac help here:

http://dock.compbio.ucsf.edu/DOCK_6/faq.htm#macosx

Namely, start over and get a solid Mac OS X set up for computational chemistry:

http://jswails.wikidot.com/mac-os-x

http://macinchem.org/reviews/cheminfo/cheminfoMac.php



Others on the list that actually build comp chem software on macs may be

able to offer you more particular help.



scott



On Fri, Sep 25, 2015 at 12:35:34PM +0000, Shaikh, Ra'eesah wrote:

> I have both gfortran and gcc compilers.

> ___

> I installed using

> % ./configure gnu

> % make all

> ___

>

> The following is the error message.

>

> ___

> 2 warnings and 2 errors generated.

> make[2]: *** [score_chemgrid.o] Error 1

> make[1]: *** [dock6] Error 2

> make: *** [install] Error 2

> ____

>

>

> host-194-40:~ raeesahshaikh$ gcc -v

> Configured with: --prefix=/Applications/Xcode.app/Contents/Developer/usr --with-gxx-include-dir=/usr/include/c++/4.2.1

> Apple LLVM version 7.0.0 (clang-700.0.72)

> Target: x86_64-apple-darwin14.5.0

> Thread model: posix

>

> host-194-40:~ raeesahshaikh$ gfortran -v

> Using built-in specs.

> COLLECT_GCC=gfortran

> COLLECT_LTO_WRAPPER=/usr/local/libexec/gcc/x86_64-apple-darwin14.4.0/5.1.0/lto-wrapper

> Target: x86_64-apple-darwin14.4.0

> Configured with: ../gcc-5.1.0/configure --enable-languages=c++,fortran

> Thread model: posix

> gcc version 5.1.0 (GCC)

>

> On 24 Sep 2015, at 22:02, Scott Brozell <sbrozell at rci.rutgers.edu<mailto:sbrozell at rci.rutgers.edu>> wrote: >

>

> In the past such errors have been due to an awry compiler installation; see

> http://mailman.docking.org/pipermail/dock-fans/2014-January/002884.html

>

> Please report the compilers and versions you have, eg, if gnu then:

> % gcc -v

> % gfortran -v

>

> See also for general mac help:

> http://dock.compbio.ucsf.edu/DOCK_6/faq.htm#macosx

>

> thanks,

> scott

>

>

> On Thu, Sep 24, 2015 at 12:09:11PM -0700, John Irwin wrote:

> forwarded to list

>

> ---------- Forwarded message ----------

> From: Shaikh, Ra'eesah <res48 at leicester.ac.uk>

>

> I am having some issues with installing Dock 6.7 on my OS X Yosemite system.

>

> The following error message(s) keep appearing:

>

> ./tnt/tnt_sparse_matrix_csr.h:97:3: error: no matching constructor for

>      initialization of 'Array1D<int>???

>

> ./tnt/tnt_sparse_matrix_csr.h:97:18: error: no matching constructor for

>      initialization of 'Array1D<int>???

>

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-- 
T. Dwight McGee Jr.

dwight.mcgee at gmail.com

"Problems cannot be solved at the same level of awareness that created them." 
                Albert Einstein


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