Revision: 148849 https://trac.macports.org/changeset/148849 Author: dstrubbe@macports.org Date: 2016-05-19 18:03:34 -0700 (Thu, 19 May 2016) Log Message: ----------- gromacs: Fix implicit x11 dependency. Add some comments. Modified Paths: -------------- trunk/dports/science/gromacs/Portfile Modified: trunk/dports/science/gromacs/Portfile =================================================================== --- trunk/dports/science/gromacs/Portfile 2016-05-20 00:58:02 UTC (rev 148848) +++ trunk/dports/science/gromacs/Portfile 2016-05-20 01:03:34 UTC (rev 148849) @@ -8,6 +8,7 @@ name gromacs version 5.1.2 +revision 1 categories science math license GPL-2 maintainers dstrubbe openmaintainer @@ -35,9 +36,24 @@ depends_lib-append port:fftw-3-single port:libxml2 # FIXME: enable use of avx when appropriate, instead of just SSE -configure.args-append -DGMX_SIMD:STRING="SSE4.1" -DBUILD_TESTING:BOOL=ON -DGMX_X11:BOOL=ON +configure.args-append -DGMX_SIMD:STRING="SSE4.1" -DBUILD_TESTING:BOOL=ON -DGMX_X11:BOOL=OFF # boost? +variant x11 description {Enable GMX view via X11} { + configure.args-replace -DGMX_X11:BOOL=OFF -DGMX_X11:BOOL=ON + depends_lib-append port:xorg-libX11 port:xorg-libXext +} + +# FIXME: use threads. +#:info:configure -- Could NOT find OpenMP (missing: OpenMP_C_FLAGS OpenMP_CXX_FLAGS) +#:info:configure CMake Warning at cmake/gmxManageOpenMP.cmake:78 (message): +#:info:configure The compiler you are using does not support OpenMP parallelism. This might +#:info:configure hurt your performance a lot, in particular with GPUs. Try using a more +#:info:configure recent version, or a different compiler. For now, we are proceeding by +#:info:configure turning off OpenMP. + +# FIXME: give choice of BLAS/LAPACK. uses dgemm. + compilers.choose cc cxx mpi.setup