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<dt>Revision</dt> <dd><a href="https://trac.macports.org/changeset/143450">143450</a></dd>
<dt>Author</dt> <dd>dstrubbe@macports.org</dd>
<dt>Date</dt> <dd>2015-12-12 09:47:22 -0800 (Sat, 12 Dec 2015)</dd>
</dl>
<h3>Log Message</h3>
<pre>New science port: quantum-espresso.</pre>
<h3>Added Paths</h3>
<ul>
<li>trunk/dports/science/quantum-espresso/</li>
<li><a href="#trunkdportssciencequantumespressoPortfile">trunk/dports/science/quantum-espresso/Portfile</a></li>
<li>trunk/dports/science/quantum-espresso/files/</li>
<li><a href="#trunkdportssciencequantumespressofilespatchMakefilediff">trunk/dports/science/quantum-espresso/files/patch-Makefile.diff</a></li>
<li><a href="#trunkdportssciencequantumespressofilespatchPHononexamplesGRID_examplerun_example_3diff">trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff</a></li>
<li><a href="#trunkdportssciencequantumespressofilespatchinstallconfigurediff">trunk/dports/science/quantum-espresso/files/patch-install-configure.diff</a></li>
<li><a href="#trunkdportssciencequantumespressofilespatchupftoolsMakefilediff">trunk/dports/science/quantum-espresso/files/patch-upftools-Makefile.diff</a></li>
</ul>
</div>
<div id="patch">
<h3>Diff</h3>
<a id="trunkdportssciencequantumespressoPortfile"></a>
<div class="addfile"><h4>Added: trunk/dports/science/quantum-espresso/Portfile (0 => 143450)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/Portfile (rev 0)
+++ trunk/dports/science/quantum-espresso/Portfile 2015-12-12 17:47:22 UTC (rev 143450)
</span><span class="lines">@@ -0,0 +1,137 @@
</span><ins>+# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
+# $Id$
+
+PortSystem 1.0
+PortGroup mpi 1.0
+
+name quantum-espresso
+version 5.2.1
+categories science
+platforms darwin
+license GPL-2
+maintainers dstrubbe
+
+description Plane-wave density-functional theory code
+
+long_description An integrated suite of open-source computer codes for electronic-structure \
+ calculations and materials modeling at the nanoscale. It is based on density-functional \
+ theory, plane waves, and pseudopotentials. This package will build pw, pp, ld1, upf, and ph.
+
+homepage http://www.quantum-espresso.org
+# get link from http://www.qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=18
+set url http://www.qe-forge.org/gf/download/frsrelease/199
+
+master_sites ${url}/855:espresso ${url}/843:atomic ${url}/849:PHonon
+distfiles espresso-${version}${extract.suffix}:espresso \
+ atomic-${version}${extract.suffix}:atomic \
+ PHonon-${version}${extract.suffix}:PHonon
+
+checksums espresso-${version}${extract.suffix} \
+ rmd160 5455784326af9c5421a3bc763de92cc7fc9a04a4 \
+ sha256 d98ce66b816fac0bcd8910482dc92bde33f8bff38167f38364f69b8b4d9490ba \
+ atomic-${version}${extract.suffix} \
+ rmd160 a1af57679dbfaf94beee3fce0dc1c6f09d928fac \
+ sha256 1d4f5fc73ba834c7daaffe99f6f1435d28138ef3047bb8f9aee7dff1cc3264e4 \
+ PHonon-${version}${extract.suffix} \
+ rmd160 a0c0e836057e4939e99b5c02be62548e44693ad9 \
+ sha256 21e2e7863080ae0feef8a0baed9776053c9f0cfbf8b08fe18edcac9aa69b8962
+
+# or vecLibFort, or OpenBLAS(-devel)
+depends_lib-append port:atlas port:fftw-3
+
+# remove erroneous check on consistency of F90 and MPIF90;
+# remove erroneous use of cpp instead of '-x f95-cpp-input'
+patchfiles patch-install-configure.diff \
+ patch-Makefile.diff \
+ patch-upftools-Makefile.diff \
+ patch-PHonon-examples-GRID_example-run_example_3.diff
+
+compilers.choose cc cpp fc
+# g95 is not compatible with OpenMP
+mpi.setup default require_fortran -g95 -gfortran
+
+configure.optflags -O3
+
+pre-test {
+ if {[mpi_variant_isset]} {
+ if {![catch {sysctl hw.ncpu} result]} {
+ set njobs $result
+ } else {
+ set njobs 1
+ }
+ reinplace -W ${worksrcpath} "s|PARA_PREFIX=\" \"|PARA_PREFIX=\"${mpi.exec} -n ${njobs}\"|" environment_variables
+ reinplace -W ${worksrcpath} "s|PARA_IMAGE_PREFIX=\"mpirun -np 4\"|PARA_IMAGE_PREFIX=\"${mpi.exec} -n 2\"|" environment_variables
+ }
+}
+
+test.run yes
+
+# note: this will download some pseudopotentials and maybe other stuff
+test {
+ ui_msg "Running PW examples"
+ system -W ${worksrcpath}/PW/examples "./run_all_examples"
+
+ # some PHonon tests need gnuplot, actually.
+ ui_msg "Running PHonon examples"
+ system -W ${worksrcpath}/PHonon/examples "./run_all_examples"
+ ui_msg "Inspect logfile to see if tests passed."
+}
+
+distname espresso-${version}
+
+post-extract {
+ move ${worksrcpath}/../PHonon ${worksrcpath}
+ move ${worksrcpath}/../QHA ${worksrcpath}
+ move ${worksrcpath}/../PlotPHon ${worksrcpath}
+ move ${worksrcpath}/../atomic ${worksrcpath}
+}
+
+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}${prefix}/bin --with-scalapack=no
+ # install anything else? e.g. pseudos?
+ if {[mpi_variant_isset]} {
+ configure.args-append --enable-parallel MPIF90="${configure.fc}"
+ } else {
+ configure.args-append --disable-parallel
+ }
+}
+
+variant scalapack description {Build with ScaLAPACK for parallel linear algebra} {
+ depends_lib-append port:scalapack
+ configure.args-delete --with-scalapack=no
+ configure.args-append SCALAPACK_LIBS="${prefix}/lib/libscalapack.dylib"
+ if {![mpi_variant_isset]} {
+ ui_error "+scalapack requires an MPI variant. Choose +mpich, +mpich_devel, +openmpi, or +openmpi_devel."
+ return -code error "+scalapack requires an MPI variant."
+ }
+ mpi.enforce_variant scalapack
+}
+
+if {[mpi_variant_isset]} {
+ default_variants-append +scalapack
+}
+
+use_parallel_build yes
+build.target all-j
+# as patched, builds pw pp ld1 upf ph
+
+# threads (including fftw/blas)
+
+#BEWARE: you are not using multi-threaded FFTs!
+
+#variant threads description {Build with support for OpenMP threads} {
+ # not compatible with g95. What about threaded FFTW3?
+# configure.args-append --enable-openmp
+# configure.fcflags-append -fopenmp
+# configure.args-append --with-linalg-libs="-L${prefix}/lib -ltatlas"
+#}
+
+livecheck.type regex
+livecheck.url ${homepage}/news/
+livecheck.regex Version (\[0-9.\]+) of Quantum ESPRESSO is available for download.
</ins><span class="cx">Property changes on: trunk/dports/science/quantum-espresso/Portfile
</span><span class="cx">___________________________________________________________________
</span></span></pre></div>
<a id="svnkeywords"></a>
<div class="addfile"><h4>Added: svn:keywords</h4></div>
<a id="svneolstyle"></a>
<div class="addfile"><h4>Added: svn:eol-style</h4></div>
<a id="trunkdportssciencequantumespressofilespatchMakefilediff"></a>
<div class="addfile"><h4>Added: trunk/dports/science/quantum-espresso/files/patch-Makefile.diff (0 => 143450)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-Makefile.diff (rev 0)
+++ trunk/dports/science/quantum-espresso/files/patch-Makefile.diff 2015-12-12 17:47:22 UTC (rev 143450)
</span><span class="lines">@@ -0,0 +1,13 @@
</span><ins>+--- Makefile.orig 2015-12-12 00:59:01.000000000 -0500
++++ Makefile 2015-12-12 01:00:25.000000000 -0500
+@@ -47,6 +47,10 @@
+ # If "|| exit 1" is not present, the error code from make in subdirectories
+ # is not returned and make goes on even if compilation has failed
+ #
++
++all-j :
++ $(MAKE) pw && $(MAKE) pp && $(MAKE) ph && $(MAKE) ld1 && $(MAKE) upf
++
+ pw : bindir mods liblapack libblas libs libiotk
+ if test -d PW ; then \
+ ( cd PW ; $(MAKE) TLDEPS= all || exit 1) ; fi
</ins></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchPHononexamplesGRID_examplerun_example_3diff"></a>
<div class="addfile"><h4>Added: trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff (0 => 143450)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff (rev 0)
+++ trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff 2015-12-12 17:47:22 UTC (rev 143450)
</span><span class="lines">@@ -0,0 +1,29 @@
</span><ins>+--- PHonon/examples/GRID_example/run_example_3.orig 2015-12-11 23:38:32.000000000 -0500
++++ PHonon/examples/GRID_example/run_example_3 2015-12-11 23:39:07.000000000 -0500
+@@ -79,8 +79,6 @@
+ # how to run executables
+ PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX"
+ PH_COMMAND="$PARA_PREFIX $BIN_DIR/ph.x $PARA_POSTFIX"
+-PW1_COMMAND="mpirun -n 4 $BIN_DIR/pw.x $PARA_POSTFIX"
+-PH1_COMMAND="mpirun -n 4 $BIN_DIR/ph.x $PARA_POSTFIX"
+ Q2R_COMMAND="$PARA_PREFIX $BIN_DIR/q2r.x $PARA_POSTFIX"
+ MATDYN_COMMAND="$PARA_PREFIX $BIN_DIR/matdyn.x $PARA_POSTFIX"
+ PLOTBAND_COMMAND="$BIN_DIR/plotband.x"
+@@ -138,7 +136,7 @@
+ 0.25 0.25 0.75 3.0
+ EOF
+ $ECHO " running the scf calculation...\c"
+-$PW1_COMMAND < alas.scf.in > alas.scf.out
++$PW_COMMAND < alas.scf.in > alas.scf.out
+ check_failure $?
+ $ECHO " done"
+ #
+@@ -160,7 +158,7 @@
+ /
+ EOF
+ $ECHO " running the band structure calculation ...\c"
+-$PH1_COMMAND < alas.ph.wfc.in > alas.ph.wfc.out
++$PH_COMMAND < alas.ph.wfc.in > alas.ph.wfc.out
+ check_failure $?
+ $ECHO " done"
+ #
</ins></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchinstallconfigurediff"></a>
<div class="addfile"><h4>Added: trunk/dports/science/quantum-espresso/files/patch-install-configure.diff (0 => 143450)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-install-configure.diff (rev 0)
+++ trunk/dports/science/quantum-espresso/files/patch-install-configure.diff 2015-12-12 17:47:22 UTC (rev 143450)
</span><span class="lines">@@ -0,0 +1,332 @@
</span><ins>+--- install/configure.orig 2015-11-17 15:08:49.000000000 -0800
++++ install/configure 2015-11-17 21:42:23.000000000 -0800
+@@ -3424,98 +3424,6 @@
+ mpif90=$FC
+ fi
+
+-# check which compiler does mpif90 wrap
+-
+-case "$arch" in
+- ia32 | ia64 | x86_64 | mac686 )
+- echo $ECHO_N "checking version of $mpif90... $ECHO_C"
+- ifort_version=`$mpif90 -V 2>&1 | grep "Intel(R)"`
+- sunf95_version=`$mpif90 -V 2>&1 | grep "Sun Fortran"`
+- openf95_version=`$mpif90 -V 2>&1 | grep "^Open64"`
+- pgf_version=`$mpif90 -V 2>&1 | grep "^pgf"`
+- g95_version=`$mpif90 -v 2>&1 | grep "g95"`
+- enzo_version=`$mpif90 -v 2>&1 | grep "PathScale ENZO"`
+- eko_version=`$mpif90 -v 2>&1 | grep "PathScale EKOPath"`
+- pathf95_version=`$mpif90 -v 2>&1 | grep "PathScale"`
+- gfortran_version=`$mpif90 -v 2>&1 | grep "gcc version"`
+- #
+- if test "$ifort_version" != ""
+- then
+- version=`$mpif90 -V 2>&1 | grep Version |
+- sed 's/.*Version//' | awk '{print $1}'`
+- ifort_version=`echo $version | sed 's/\..*//'`
+- echo "${ECHO_T}ifort $version"
+- f90_in_mpif90="ifort"
+- if test "$ifort_version" -gt 8; then
+- # flags for MKL - ifort 9 and later
+- MKL_LIBS=""
+- if test "$ifort_version" -gt 9; then
+- MKL_FLAGS="-static-intel"
+- else
+- MKL_FLAGS="-i-static"
+- fi
+- else
+- # flags for MKL - ifort 8 and earlier, obsolescent
+- MKL_LIBS="-lguide -lpthread"
+- MKL_FLAGS=""
+- fi
+- elif test "$sunf95_version" != ""
+- then
+- version=`echo $sunf95_version | awk '{print $5}'`
+- echo "${ECHO_T}sunf95 $version"
+- f90_in_mpif90="sunf95"
+- elif test "$openf95_version" != ""
+- then
+- version=`echo $openf95_version | awk '{print $5}'`
+- echo "${ECHO_T}openf95 $version"
+- f90_in_mpif90="openf95"
+- elif test "$pgf_version" != ""
+- then
+- version=`echo $pgf_version | awk '{print $2}'`
+- echo "${ECHO_T}pgf90 $version"
+- f90_in_mpif90="pgf90"
+- # flag to test MKL with PGI
+- MKL_FLAGS="-pgf90libs"
+- elif test "$enzo_version" != ""
+- then
+- version=`echo $enzo_version | awk '{print $6}'`
+- echo "${ECHO_T}pathf95 $version"
+- f90_in_mpif90="pathf95"
+- elif test "$eko_version" != ""
+- then
+- version=`echo $eko_version | awk '{print $6}'`
+- echo "${ECHO_T}pathf95 $version"
+- f90_in_mpif90="pathf95"
+- elif test "$g95_version" != ""
+- then
+- version=`echo $g95_version | awk '{print $3}'`
+- echo "${ECHO_T}g95 $version"
+- f90_in_mpif90="g95"
+- elif test "$pathf95_version" != ""
+- then
+- version=`echo $pathf95_version | awk '{print $5}'`
+- echo "${ECHO_T}pathf95 $version"
+- f90_in_mpif90="pathf95"
+- elif test "$gfortran_version" != ""
+- then
+- version=`echo $gfortran_version | awk '{print $3}'`
+- echo "${ECHO_T}gfortran $version"
+- f90_in_mpif90="gfortran"
+- else
+- echo "${ECHO_T}unknown, assuming gfortran"
+- f90_in_mpif90="gfortran"
+- fi
+- # check if serial and parallel compiler are the same
+- if test "$f90" != "$f90_in_mpif90"; then
+- { $as_echo "$as_me:$LINENO: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&5
+-$as_echo "$as_me: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&2;}
+- { $as_echo "$as_me:$LINENO: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&5
+-$as_echo "$as_me: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&2;}
+- fi
+- f90=$f90_in_mpif90
+- ;;
+-esac
+-
+ echo setting F90... $f90
+ echo setting MPIF90... $mpif90
+
+@@ -5621,230 +5529,6 @@
+
+ echo using F90... $f90
+
+-case "$arch:$f90_version" in
+-ia32:ifort* | ia64:ifort* | x86_64:ifort* | mac686:ifort* | crayxt*:ifort* )
+- try_fflags="-O2 -assume byterecl -g -traceback"
+- if test "$use_debug" -eq 1; then
+- try_fflags="$try_fflags -fpe0 -CB"
+- fi
+- try_fflags_nomain="-nofor_main"
+- try_fflags_openmp="-openmp"
+- try_f90flags="\$(FFLAGS) -nomodule"
+- try_fflags_noopt="-O0 -assume byterecl -g -traceback"
+- try_ldflags=""
+- try_ldflags_static="-static"
+- try_ldflags_openmp="-openmp"
+- try_dflags="$try_dflags -D__INTEL"
+- pre_fdflags="-fpp "
+- ;;
+-ia32:pgf* | ia64:pgf* | x86_64:pgf* )
+- try_fflags_nomain="-Mnomain"
+- try_fflags="-fast -r8"
+- try_fflags_openmp="-mp"
+- try_f90flags="-fast -r8 -Mcache_align"
+- try_fflags_noopt="-O0"
+- try_ldflags=""
+- try_ldflags_openmp="-mp"
+- try_ldflags_static="-Bstatic"
+- try_dflags="$try_dflags -D__PGI"
+- have_cpp=0
+- ;;
+-ia32:path* | ia64:path* | x86_64:path* )
+- try_fflags="-march=auto -O2"
+- try_f90flags="\$(FFLAGS)"
+- try_fflags_noopt="-O0"
+- try_ldflags=""
+- try_ldflags_static="-static"
+- have_cpp=0
+- ;;
+-*:g95 )
+- if test "$use_debug" -eq 1; then
+- try_fflags="-O3 -g -freal=nan -finteger=12345678 -flogical=none -cpp"
+- else
+- try_fflags="-O3 -cpp"
+- fi
+- try_f90flags="\$(FFLAGS)"
+- try_fflags_noopt="-O0 -cpp"
+- try_ldflags=""
+- try_ldflags_static="-static"
+- ;;
+-*:*gfortran )
+- if test "$use_debug" -eq 1; then
+- try_fflags="-O3 -g -Wall -fbounds-check -frange-check"
+- else
+- try_fflags="-O3 -g"
+- fi
+- try_fflags_openmp="-fopenmp"
+- try_f90flags="\$(FFLAGS) -x f95-cpp-input"
+- try_fflags_noopt="-O0 -g"
+- try_ldflags="-g -pthread"
+- try_ldflags_openmp="-fopenmp"
+- try_dflags="$try_dflags -D__GFORTRAN -D__STD_F95"
+- try_ldflags_static="-static"
+- ;;
+-*:sunf95 )
+- try_fflags="-O4"
+- try_fflags_openmp="-openmp"
+- try_f90flags="\$(FFLAGS) -fpp"
+- try_fflags_noopt="-O0"
+- try_ldflags="-fast"
+- try_ldflags_static="-Bstatic"
+- imod="-M"
+- ;;
+-*:openf95 )
+- try_fflags="-O3"
+- try_f90flags="\$(FFLAGS) -ftpp"
+- try_fflags_noopt="-O0"
+- try_ldflags=""
+- imod="-I"
+- ;;
+-aix:*xlf* )
+- if test "$use_debug" -eq 1; then
+- try_fflags="-q64 -qalias=noaryovrlp -g -C \
+--qarch=auto -qtune=auto -qdpc -Q -qalias=nointptr"
+- else
+- try_fflags="-q64 -qalias=noaryovrlp -O3 -qstrict \
+--qarch=auto -qtune=auto -qdpc -Q -qalias=nointptr"
+- fi
+- try_fflags_openmp="-qsmp=omp"
+- try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90 -qfree=f90"
+- try_fflags_noopt="-q64 -O0"
+- try_ldflags="-q64"
+- try_ldflags_openmp="-qsmp=omp"
+- # try_ldflags_static="-bstatic"
+- pre_fdflags="-WF,"
+- xlf_flags=1
+- ;;
+-solaris:sunf95 )
+- try_fflags="-fast -O2 -fpp"
+- try_f90flags="\$(FFLAGS)"
+- try_fflags_noopt="-O0 "
+- try_ldflags=""
+- imod="-M"
+- ;;
+-sparc:f90 )
+- try_fflags="-fast -O1 -nodepend -xvector=no -xchip=ultra3 \
+--xarch=v8plusb -xlic_lib=sunperf"
+- try_f90flags="\$(FFLAGS)"
+- try_fflags_noopt="-O0 -xlic_lib=sunperf"
+- try_ldflags=""
+- imod="-M"
+- have_cpp=0
+- ;;
+-crayxt*:cray* )
+- try_fflags_nomain=""
+- #NOTE: by default OpenMP is always ON (see crayftn man page)
+- try_fflags_openmp="-homp"
+- try_fflags="-O2"
+- #NOTE: add '-rm' to get messages from crayftn about why
+- # optimizations have not been applied
+- try_f90flags="-O3,fp3 -f free"
+- try_fflags_noopt="-O0"
+- try_ldflags_openmp="-homp"
+- try_ldflags="-v"
+- try_ldflags_static="-static"
+- try_dflags="$try_dflags -D__CRAY"
+- have_cpp=0
+- ;;
+-crayxt*:pgf* )
+-# see comment above for pgf*
+- try_fflags_nomain="-Mnomain"
+- try_fflags_openmp="-mp"
+- try_fflags="-O3 -r8"
+- try_f90flags="-fast -Mcache_align -r8 -Mpreprocess"
+- try_fflags_noopt="-O0"
+- try_ldflags_openmp="-mp"
+- try_ldflags="-v"
+- try_dflags="$try_dflags -D__PGI -D__IOTK_WORKAROUND1"
+- have_cpp=1
+- ;;
+-crayxt*:pathf* )
+- try_fflags="-march=auto -O2 -cpp"
+- try_f90flags="\$(FFLAGS)"
+- try_fflags_noopt="-O0"
+- try_ldflags=""
+- try_ldflags_static="-static"
+- have_cpp=1
+- ;;
+-necsx:* )
+- try_fflags=' -float0 -Cvopt -eab -R5 -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan'
+- try_f90flags=' -f2003 -float0 -Cvopt -eab -R5 -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan'
+- try_f90flags="-$sxopt $try_f90flags"
+- try_fflags_noopt='-float0 '
+- try_f90flags_noopt='-f2003 -float0 -eab -R5 -C debug -Wf,-Ncont,-A dbl4,-P nh ,ptr byte,-init stack=nan heap=nan'
+- try_f90flags_noopt="$try_f90flags_noopt"
+- try_f90flags_inline='-f2003 -float0 -Cvopt -eab -R5 -pi noauto incdir exp=w0gauss -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan'
+- try_f90flags_inline="$try_f90flags_inline"
+- try_ldflags_static='-P static'
+- try_ldflags='-Wl,-f zero'
+- try_ldflags="-p $try_ldflags"
+- pre_fdflags=""
+- ;;
+-
+-ppc64:*xlf* )
+- if test "$use_debug" -eq 1; then
+- try_fflags="-g -C -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q"
+- else
+- try_fflags="-q64 -qthreaded -O4 -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q"
+- fi
+- try_f90flags="\$(FFLAGS) -qfree=f90"
+- try_fflags_noopt="-q64 -qthreaded -O0"
+- try_ldflags="-q64 -qthreaded"
+- pre_fdflags="-WF,"
+- xlf_flags=1
+- ;;
+-ppc64-mn:*xlf* )
+- if test "$use_debug" -eq 1; then
+- try_fflags="-g -C -q64 -qstrict -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q -qtune=ppc970 -qarch=ppc970 -qcache=auto -qhot=vector,simd -qenablevmx"
+- else
+- try_fflags="-O3 -q64 -qstrict -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q -qtune=ppc970 -qarch=ppc970 -qcache=auto -qhot=vector,simd -qenablevmx"
+- fi
+- try_f90flags="\$(FFLAGS) -qfree=f90"
+- try_fflags_noopt="-O0 -q64"
+- try_ldflags=""
+- pre_fdflags="-WF,"
+- xlf_flags=1
+- ;;
+-ppc64-bg:*xlf* )
+- if test "$use_debug" -eq 1; then
+- try_fflags="-q32 -qalias=noaryovrlp:nointptr -g -C -qdpc=e"
+- else
+- try_fflags="-q32 -qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e"
+- fi
+- try_fflags_openmp="-qsmp=omp -qthreaded"
+- try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90"
+- try_fflags_noopt="-q32 -O0"
+- try_ldflags="-q32"
+- try_ldflags_openmp="-qsmp=omp -qthreaded"
+- pre_fdflags="-WF,"
+- xlf_flags=1
+- ;;
+-ppc64-bgq:*xlf* )
+- if test "$use_debug" -eq 1; then
+- try_fflags="-qalias=noaryovrlp:nointptr -g -C -qdpc=e"
+- else
+- try_fflags="-qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e -qarch=qp -qtune=qp"
+- fi
+- try_fflags_openmp="-qsmp=noauto:omp -qtm -qthreaded"
+- try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90"
+- try_fflags_noopt="-O0"
+- try_ldflags=""
+- try_ldflags_openmp="-qstatic -qsmp=noauto:omp -qtm -qthreaded"
+- pre_fdflags="-WF,"
+- xlf_flags=1
+- ;;
+-
+-* )
+- # unknown, try these
+- try_fflags="-O1"
+- try_f90flags="\$(FFLAGS)"
+- try_fflags_noopt="-O0"
+- try_ldflags=""
+- have_cpp=0
+- ;;
+-
+-esac
+-
+ if test "$use_shared" -eq 0 ; then
+ try_ldflags="$try_ldflags $try_ldflags_static" ; fi
+
</ins></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchupftoolsMakefilediff"></a>
<div class="addfile"><h4>Added: trunk/dports/science/quantum-espresso/files/patch-upftools-Makefile.diff (0 => 143450)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-upftools-Makefile.diff (rev 0)
+++ trunk/dports/science/quantum-espresso/files/patch-upftools-Makefile.diff 2015-12-12 17:47:22 UTC (rev 143450)
</span><span class="lines">@@ -0,0 +1,11 @@
</span><ins>+--- upftools/Makefile.orig 2015-12-12 01:09:26.000000000 -0500
++++ upftools/Makefile 2015-12-12 01:10:04.000000000 -0500
+@@ -38,7 +38,7 @@
+ read_upf.x : read_upf.o
+ $(LD) $(LDFLAGS) -o $@ read_upf.o $(LIBS)
+
+-read_upf_tofile.x : read_upf_tofile.o $(QEMODS)
++read_upf_tofile.x : read_upf_tofile.o $(OBJS) $(QEMODS) $(LIBOBJS)
+ $(LD) $(LDFLAGS) -o $@ read_upf_tofile.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
+
+ rrkj2upf.x : rrkj2upf.o $(OBJS) $(QEMODS) $(LIBOBJS)
</ins></span></pre>
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