[143317] trunk/dports/science/gromacs/Portfile

[dstrubbe at macports.org]

Revision: 143317
          https://trac.macports.org/changeset/143317
Author:   dstrubbe at macports.org
Date:     2015-12-10 14:03:55 -0800 (Thu, 10 Dec 2015)
Log Message:
-----------
gromacs: Update to version 5.1.1. It now uses cmake. Removed no longer valid x11 and gsl variants. Added test phase.

Modified Paths:
--------------
    trunk/dports/science/gromacs/Portfile

Modified: trunk/dports/science/gromacs/Portfile
===================================================================
--- trunk/dports/science/gromacs/Portfile	2015-12-10 21:27:43 UTC (rev 143316)
+++ trunk/dports/science/gromacs/Portfile	2015-12-10 22:03:55 UTC (rev 143317)
@@ -3,9 +3,10 @@
 
 PortSystem          1.0
 PortGroup           muniversal 1.0
+PortGroup           cmake 1.0
 
 name                gromacs
-version             4.5.6
+version             5.1.1
 categories          science math
 license             GPL-2
 maintainers         nomaintainer
@@ -24,30 +25,21 @@
 master_sites        ftp://ftp.gromacs.org/pub/gromacs \
                     http://cluster.earlham.edu/detail/home/charliep/packages
 
-checksums           rmd160  7337bad702f452a976b5852644b7e3809c35f3f9 \
-                    sha256  eaebebcee3e93b2014b17090171f78c045017c62e58678096e126af0033a5b84
+checksums           rmd160  d01093aa77122262c4a12db5807e73e66e983206 \
+                    sha256  9316fd0be320e2dd8c048f905df5be115e1b230c4ca4f3a7ef5892a1fc0bc212
 
 depends_build       port:pkgconfig
 
 depends_lib         port:libxml2
 
-configure.args      --bindir=${prefix}/lib/${name}/bin \
-                    --enable-shared \
-                    --without-x
+# 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
+# boost?
 
-variant x11 description {enable the openmotif interface} {
-    depends_lib-append      port:openmotif
-    configure.args-delete   --without-x
-    configure.args-append   --with-x
-}
+test.run     yes
+test.target  check
+test.env-append DYLD_LIBRARY_PATH=${worksrcpath}/lib
 
-variant gsl description {enable extra analyses via the GNU scientific library} {
-    depends_lib-append      port:gsl
-    configure.args-append   --with-gsl
-}
-
-# --enable-fortran?
-
 # FIXME: add mpich; use MPI portgroup. Also, probably this does nothing?
 variant openmpi description {build using openmpi parallelization} {
     depends_lib-append      port:openmpi
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