Revision
148823
Author
dstrubbe@macports.org
Date
2016-05-19 08:59:03 -0700 (Thu, 19 May 2016)

Log Message

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.

Modified Paths

Diff

Modified: trunk/dports/science/quantum-espresso/Portfile (148822 => 148823)


--- 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)
@@ -3,10 +3,11 @@
 
 PortSystem          1.0
 PortGroup           mpi 1.0
+PortGroup           linear_algebra 1.0
 
 name                quantum-espresso
 version             5.4.0
-revision            0
+revision            1
 categories          science
 platforms           darwin
 license             GPL-2
@@ -38,8 +39,7 @@
                        rmd160  53acd4295b5473ca9a9e8c19b97e3c6fa43a9caf \
                        sha256  b1c43c6fed2b2619793e78a666a482c7d12875307bf8db96125e20dd30325fe0
 
-# or vecLibFort, or OpenBLAS(-devel)
-depends_lib-append  port:atlas port:fftw-3
+depends_lib-append  port:fftw-3
 
 use_autoconf        yes
 autoconf.args       -i
@@ -83,7 +83,7 @@
     ui_msg "Running PW examples"
     system -W ${worksrcpath}/PW/examples "./run_all_examples"
 
-    # some PHonon tests need gnuplot, actually.
+    # some PHonon tests will use gnuplot if available
     ui_msg "Running PHonon examples"
     system -W ${worksrcpath}/PHonon/examples "./run_all_examples"
     ui_msg "Inspect logfile to see if tests passed."
@@ -98,14 +98,14 @@
     move ${worksrcpath}/../atomic    ${worksrcpath}
 }
 
+configure.args-append   --prefix=${destroot}${prefix}/bin --with-scalapack=no
+
 pre-configure {
-    set linalg ${prefix}/lib/libsatlas.dylib
     # using cpp separately does not work because it tries to output .f90 to .F90, which is the same file in OSX
     configure.args-append  FC=${configure.fc} F90FLAGS="${configure.fcflags} -x f95-cpp-input" \
         F77="${configure.fc}" FFLAGS="${configure.fflags}" F90="${configure.fc}" \
         CC="${configure.cc}" CFLAGS="${configure.cflags}" \
-        BLAS_LIBS="${linalg}" LAPACK_LIBS="${linalg}" FFT_LIBS="${prefix}/lib/libfftw3.dylib" \
-        --prefix=${destroot}${prefix}/bin --with-scalapack=no
+        BLAS_LIBS="${linalglib}" LAPACK_LIBS="${linalglib}" FFT_LIBS="${prefix}/lib/libfftw3.dylib" \
     # install anything else? e.g. pseudos?
     if {[mpi_variant_isset]} {
         configure.args-append  --enable-parallel MPIF90="${configure.fc}"
@@ -141,7 +141,6 @@
     # not compatible with g95. What about threaded FFTW3?
 #    configure.args-append   --enable-openmp
 #    configure.fcflags-append -fopenmp
-#    configure.args-append   --with-linalg-libs="-L${prefix}/lib -ltatlas"
 #}
 
 livecheck.type      regex