[148823] trunk/dports/science/quantum-espresso/Portfile
dstrubbe at macports.org
dstrubbe at macports.org
Thu May 19 08:59:03 PDT 2016
Revision: 148823
https://trac.macports.org/changeset/148823
Author: dstrubbe at 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:
--------------
trunk/dports/science/quantum-espresso/Portfile
Modified: trunk/dports/science/quantum-espresso/Portfile
===================================================================
--- 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
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