<pre style='margin:0'>
David Strubbe (dstrubbe) pushed a commit to branch master
in repository macports-ports.

</pre>
<p><a href="https://github.com/macports/macports-ports/commit/677313be0e4e310d68c2e54e491962555df4866c">https://github.com/macports/macports-ports/commit/677313be0e4e310d68c2e54e491962555df4866c</a></p>
<pre style="white-space: pre; background: #F8F8F8">The following commit(s) were added to refs/heads/master by this push:
<span style='display:block; white-space:pre;color:#404040;'>     new 677313b  gromacs: Update to 2016.4 and corresponding modifications.
</span>677313b is described below

<span style='display:block; white-space:pre;color:#808000;'>commit 677313be0e4e310d68c2e54e491962555df4866c
</span>Author: David Strubbe <dstrubbe@macports.org>
AuthorDate: Sat Feb 10 15:54:09 2018 -0800

<span style='display:block; white-space:pre;color:#404040;'>    gromacs: Update to 2016.4 and corresponding modifications.
</span><span style='display:block; white-space:pre;color:#404040;'>    
</span><span style='display:block; white-space:pre;color:#404040;'>    Need cxx11 port group now; using configure.cxx_stdlib to allow use of gcc. Add dependency on zlib. Use more generic reference to dylib which won't have to be updated with changing versions. Use more robust check on mpi compatibility.
</span>---
 science/gromacs/Portfile | 25 +++++++++++++++----------
 1 file changed, 15 insertions(+), 10 deletions(-)

<span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gromacs/Portfile b/science/gromacs/Portfile
</span><span style='display:block; white-space:pre;color:#808080;'>index b6d1f44..d3bcf35 100644
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>--- a/science/gromacs/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gromacs/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -3,11 +3,15 @@
</span> PortSystem          1.0
 PortGroup           muniversal 1.0
 PortGroup           cmake 1.0
<span style='display:block; white-space:pre;background:#e0ffe0;'>+# this line is needed to allow use of gcc
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+configure.cxx_stdlib   libstdc++
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortGroup           cxx11 1.1
</span> PortGroup           mpi 1.0
 PortGroup           linear_algebra 1.0
 
 name                gromacs
<span style='display:block; white-space:pre;background:#ffe0e0;'>-version             5.1.5
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# not all versions have patches available for plumed; subport's patch will fail if not there
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+version             2016.4
</span> categories          science math
 license             LGPL-2.1
 maintainers         dstrubbe openmaintainer
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -26,14 +30,14 @@ homepage            http://www.gromacs.org/
</span> master_sites        http://ftp.gromacs.org/pub/gromacs
 
 # md5 published at http://www.gromacs.org/Downloads
<span style='display:block; white-space:pre;background:#ffe0e0;'>-checksums           rmd160  306677985aa89ae9857145ce1a3a56966a0ecb94 \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-                    sha256  c25266abf07690ecad16ed3996899b1d489cbb1ef733a1befb3b5c75c91a703e \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-                    md5     831fe741bcd9f1612155dffc919885f2
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+checksums           rmd160  76d85579ae322ef61e7382984e66f48f63d1cba9 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+                    sha256  4be9d3bfda0bdf3b5c53041e0b8344f7d22b75128759d9bfa9442fe65c289264 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+                    md5     19c8b5c85f3ec62df79d2249a3c272f8
</span> 
 depends_build-append \
                     port:pkgconfig
 
<span style='display:block; white-space:pre;background:#ffe0e0;'>-depends_lib-append  port:fftw-3-single port:libxml2
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+depends_lib-append  port:fftw-3-single port:libxml2 port:zlib
</span> 
 # 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=OFF
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -53,6 +57,7 @@ variant x11 description {Enable GMX view via X11} {
</span> #:info:configure   turning off OpenMP.
 
 compilers.choose    cc cxx
<span style='display:block; white-space:pre;background:#e0ffe0;'>+#-dragonegg
</span> mpi.setup
 
 test.run     yes
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -65,14 +70,14 @@ if {[mpi_variant_isset]} {
</span> }
 
 pre-test {
<span style='display:block; white-space:pre;background:#ffe0e0;'>-    system -W ${worksrcpath} "install_name_tool -change ${prefix}/lib/libgromacs${suffix}.1.dylib @executable_path/../lib/libgromacs${suffix}.1.dylib bin/gmx${suffix}"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+    system -W ${worksrcpath} "install_name_tool -change ${prefix}/lib/libgromacs${suffix}.dylib @executable_path/../lib/libgromacs${suffix}.dylib bin/gmx${suffix}"
</span>     # reset name for new executables that will be built in this phase
<span style='display:block; white-space:pre;background:#ffe0e0;'>-    system -W ${worksrcpath} "install_name_tool -id @executable_path/../lib/libgromacs${suffix}.1.dylib lib/libgromacs${suffix}.1.dylib"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+    system -W ${worksrcpath} "install_name_tool -id @executable_path/../lib/libgromacs${suffix}.dylib lib/libgromacs${suffix}.dylib"
</span> }
 post-test {
     # undo changes, in case 'install' is done afterward
<span style='display:block; white-space:pre;background:#ffe0e0;'>-    system -W ${worksrcpath} "install_name_tool -change @executable_path/../lib/libgromacs${suffix}.1.dylib ${prefix}/lib/libgromacs.1.dylib bin/gmx${suffix}"
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-    system -W ${worksrcpath} "install_name_tool -id ${prefix}/lib/libgromacs${suffix}.1.dylib lib/libgromacs${suffix}.1.dylib"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+    system -W ${worksrcpath} "install_name_tool -change @executable_path/../lib/libgromacs${suffix}.dylib ${prefix}/lib/libgromacs.dylib bin/gmx${suffix}"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+    system -W ${worksrcpath} "install_name_tool -id ${prefix}/lib/libgromacs${suffix}.dylib lib/libgromacs${suffix}.dylib"
</span> }
 # look into this:
 #NOTE: Regression tests have not been run. If you want to run them from the build system, get the correct version of the regression tests package and set REGRESSIONTEST_PATH in CMake to point to it, or set REGRESSIONTEST_DOWNLOAD=ON.
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -95,7 +100,7 @@ subport gromacs-plumed {
</span> 
 # in case gromacs is compiled with MPI, also enforce that plumed is compiled with the same MPI variant:
     if {[mpi_variant_isset]} {
<span style='display:block; white-space:pre;background:#ffe0e0;'>-      require_active_variants path:${prefix}/lib/libplumedKernel.dylib:plumed [mpi_variant_name]
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+        mpi.enforce_variant path:${prefix}/lib/libplumedKernel.dylib:plumed
</span>     }
 # make sure that thread MPI is disabled, since it does not work with plumed
     configure.args-append -DGMX_THREAD_MPI=OFF
</pre><pre style='margin:0'>

</pre>