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<title>[148823] trunk/dports/science/quantum-espresso/Portfile</title>
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<dt>Revision</dt> <dd><a href="https://trac.macports.org/changeset/148823">148823</a></dd>
<dt>Author</dt> <dd>dstrubbe@macports.org</dd>
<dt>Date</dt> <dd>2016-05-19 08:59:03 -0700 (Thu, 19 May 2016)</dd>
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<h3>Log Message</h3>
<pre>quantum-espresso: Use new linear_algebra portgroup (accelerate rather than atlas is now default). Fix handling of scalapack configure argument, which made it not get enabled even with +scalapack.</pre>
<h3>Modified Paths</h3>
<ul>
<li><a href="#trunkdportssciencequantumespressoPortfile">trunk/dports/science/quantum-espresso/Portfile</a></li>
</ul>
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<div id="patch">
<h3>Diff</h3>
<a id="trunkdportssciencequantumespressoPortfile"></a>
<div class="modfile"><h4>Modified: trunk/dports/science/quantum-espresso/Portfile (148822 => 148823)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/Portfile 2016-05-19 15:57:54 UTC (rev 148822)
+++ trunk/dports/science/quantum-espresso/Portfile 2016-05-19 15:59:03 UTC (rev 148823)
</span><span class="lines">@@ -3,10 +3,11 @@
</span><span class="cx">
</span><span class="cx"> PortSystem 1.0
</span><span class="cx"> PortGroup mpi 1.0
</span><ins>+PortGroup linear_algebra 1.0
</ins><span class="cx">
</span><span class="cx"> name quantum-espresso
</span><span class="cx"> version 5.4.0
</span><del>-revision 0
</del><ins>+revision 1
</ins><span class="cx"> categories science
</span><span class="cx"> platforms darwin
</span><span class="cx"> license GPL-2
</span><span class="lines">@@ -38,8 +39,7 @@
</span><span class="cx"> rmd160 53acd4295b5473ca9a9e8c19b97e3c6fa43a9caf \
</span><span class="cx"> sha256 b1c43c6fed2b2619793e78a666a482c7d12875307bf8db96125e20dd30325fe0
</span><span class="cx">
</span><del>-# or vecLibFort, or OpenBLAS(-devel)
-depends_lib-append port:atlas port:fftw-3
</del><ins>+depends_lib-append port:fftw-3
</ins><span class="cx">
</span><span class="cx"> use_autoconf yes
</span><span class="cx"> autoconf.args -i
</span><span class="lines">@@ -83,7 +83,7 @@
</span><span class="cx"> ui_msg "Running PW examples"
</span><span class="cx"> system -W ${worksrcpath}/PW/examples "./run_all_examples"
</span><span class="cx">
</span><del>- # some PHonon tests need gnuplot, actually.
</del><ins>+ # some PHonon tests will use gnuplot if available
</ins><span class="cx"> ui_msg "Running PHonon examples"
</span><span class="cx"> system -W ${worksrcpath}/PHonon/examples "./run_all_examples"
</span><span class="cx"> ui_msg "Inspect logfile to see if tests passed."
</span><span class="lines">@@ -98,14 +98,14 @@
</span><span class="cx"> move ${worksrcpath}/../atomic ${worksrcpath}
</span><span class="cx"> }
</span><span class="cx">
</span><ins>+configure.args-append --prefix=${destroot}${prefix}/bin --with-scalapack=no
+
</ins><span class="cx"> pre-configure {
</span><del>- set linalg ${prefix}/lib/libsatlas.dylib
</del><span class="cx"> # using cpp separately does not work because it tries to output .f90 to .F90, which is the same file in OSX
</span><span class="cx"> configure.args-append FC=${configure.fc} F90FLAGS="${configure.fcflags} -x f95-cpp-input" \
</span><span class="cx"> F77="${configure.fc}" FFLAGS="${configure.fflags}" F90="${configure.fc}" \
</span><span class="cx"> CC="${configure.cc}" CFLAGS="${configure.cflags}" \
</span><del>- BLAS_LIBS="${linalg}" LAPACK_LIBS="${linalg}" FFT_LIBS="${prefix}/lib/libfftw3.dylib" \
- --prefix=${destroot}${prefix}/bin --with-scalapack=no
</del><ins>+ BLAS_LIBS="${linalglib}" LAPACK_LIBS="${linalglib}" FFT_LIBS="${prefix}/lib/libfftw3.dylib" \
</ins><span class="cx"> # install anything else? e.g. pseudos?
</span><span class="cx"> if {[mpi_variant_isset]} {
</span><span class="cx"> configure.args-append --enable-parallel MPIF90="${configure.fc}"
</span><span class="lines">@@ -141,7 +141,6 @@
</span><span class="cx"> # not compatible with g95. What about threaded FFTW3?
</span><span class="cx"> # configure.args-append --enable-openmp
</span><span class="cx"> # configure.fcflags-append -fopenmp
</span><del>-# configure.args-append --with-linalg-libs="-L${prefix}/lib -ltatlas"
</del><span class="cx"> #}
</span><span class="cx">
</span><span class="cx"> livecheck.type regex
</span></span></pre>
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