[gmx-users] How to compile the template.c when GMX is builded with cmake

[chris.neale at utoronto.ca]

Dear Users:

I was previously able to compile template.c after I compiled gromacs  
with autoconf. I was unable to compile templae.c, however, I used  
cmake to compile gromacs. This is from gromacs-4.5.4.

I tried "cmake ." in the template directory with no success:

cmake .gpc-f102n084-$ cmake .
-- The C compiler identification is Intel
-- The CXX compiler identification is Intel
-- Check for working C compiler:  
/home/scinet/gpc/intel/ics/composer_xe_2011_sp1.6.233/bin/intel64/icc
-- Check for working C compiler:  
/home/scinet/gpc/intel/ics/composer_xe_2011_sp1.6.233/bin/intel64/icc  
-- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working CXX compiler:  
/home/scinet/gpc/intel/ics/composer_xe_2011_sp1.6.233/bin/intel64/icpc
-- Check for working CXX compiler:  
/home/scinet/gpc/intel/ics/composer_xe_2011_sp1.6.233/bin/intel64/icpc  
-- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- checking for module 'libmd'
--   package 'libmd' not found
CMake Error at CMakeLists.txt:42 (message):
   libmd not found, source GMXRC.


-- Configuring incomplete, errors occurred!

###

For this test, I used the template.c that came with gromacs.

This issue has previously been posted to the list (see below) but I  
was unable to find any answers to that previous querry.

I also looked at the README that came in the template directory and  
find it to be apparently autoconf specific, with no directions for  
cmake.

Thank you,
Chris.

quoting http://www.mail-archive.com/gmx-users@gromacs.org/msg39347.html

How to compile the template.c when GMX is builded with cmake

Bert
Thu, 31 Mar 2011 10:15:22 -0700

Dear all,

When GMX is builded with cmake, how to compile the template.c? I used
to make the template.c by the command "make -f MakefileXXX", but it
can not work in version 4.5. Thanks for your suggestions.

Best regards,
Bert
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