[148849] trunk/dports/science/gromacs/Portfile

[dstrubbe at macports.org]

Revision: 148849
          https://trac.macports.org/changeset/148849
Author:   dstrubbe at 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
 
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