So I figured, hey if I can do this compile specifying things very neatly I might be able to compile cpptraj with openmpi support and started specifying things very manually. This seemed to work better then using -amberlib though when I came to the sanderlib, things went belly up:
Checking sanderlib: dyld: Library not loaded: @rpath/libsander.dylib
Referenced from: /Users/guolaa/Git/cpptraj.clone/./testp
Reason: image not found
./configure: line 360: 93309 Abort trap: 6 ./testp > prog.out
Error: Run of test program failed, compiled with: mpicxx -Wall -O3 -std=gnu++11 -I/Users/guolaa/SOFTWARE/amber20//include -o testp testp.cpp /Users/guolaa/SOFTWARE/amber20//lib/libsander.dylib
This is strange as the path to the lib sander.dylib file is the correct one.
I’m sure there is an easy answer to this though I cannot manage to get the configuration to work. Any suggestions welcome
Best regards
// Gustaf
> On 2 Oct 2020, at 12:53, Gustaf Olsson <gustaf.olsson.lnu.se> wrote:
>
> So I was trying to compile CPPTRAJ from GitHub and thought I’d skip the part where I define all libraries and things. Must have missed something because this did not work out to well:
>
> ./configure -macAccelerate -amberlib clang
>
>
> Testing C++ compiler: OK
> Testing C compiler: OK
> Testing Fortran compiler: OK
> Testing basic C++11 support: OK
> Testing system headers for C++11 support: OK
> Testing clang C++/Fortran linking: OK
> Using netcdf from /Users/xxx/amber20
> Warning: Cannot link 'netcdf' statically.
> Warning: Cannot link 'fftw3' statically.
> Checking BZLIB: OK
> Checking ZLIB: OK
> Checking NetCDF: dyld: Library not loaded: @rpath/libnetcdf.13.dylib
> Referenced from: /Users/guolaa/Git/cpptraj.clone/./testp
> Reason: image not found
> ./configure: line 360: 85282 Abort trap: 6 ./testp > prog.out
>
> Error: Run of test program failed, compiled with: clang++ -Wall -O3 -std=c++11 -I/Users/xxx/amber20/include -o testp testp.cpp -L/Users/xxx/amber20/lib -lnetcdf
>
> The path as presented are correct as far as I can se, the include dir holds the h files and lib does have the libnetcdf.13.dylib file. What am I missing, any suggestions appreciated.
>
> Best regards
> // Gustaf
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Received on Fri Oct 02 2020 - 05:30:02 PDT
