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<title>[154066] trunk/dports/science/quantum-espresso</title>
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<dl class="meta">
<dt>Revision</dt> <dd><a href="https://trac.macports.org/changeset/154066">154066</a></dd>
<dt>Author</dt> <dd>dstrubbe@macports.org</dd>
<dt>Date</dt> <dd>2016-10-19 11:24:15 -0700 (Wed, 19 Oct 2016)</dd>
</dl>
<h3>Log Message</h3>
<pre>quantum-espresso: Update to 6.0, including adapting to new directory/archive structure, removing patches which were incorporated by upstream, and adding openmaintainer.</pre>
<h3>Modified Paths</h3>
<ul>
<li><a href="#trunkdportssciencequantumespressoPortfile">trunk/dports/science/quantum-espresso/Portfile</a></li>
<li><a href="#trunkdportssciencequantumespressofilespatchMakefilediff">trunk/dports/science/quantum-espresso/files/patch-Makefile.diff</a></li>
</ul>
<h3>Removed Paths</h3>
<ul>
<li><a href="#trunkdportssciencequantumespressofilespatchModulesMakefilediff">trunk/dports/science/quantum-espresso/files/patch-Modules-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="#trunkdportssciencequantumespressofilespatchPWsrcpunchf90diff">trunk/dports/science/quantum-espresso/files/patch-PW-src-punch.f90.diff</a></li>
<li><a href="#trunkdportssciencequantumespressofilespatchinstallconfigureacdiff">trunk/dports/science/quantum-espresso/files/patch-install-configure.ac.diff</a></li>
<li><a href="#trunkdportssciencequantumespressofilespatchinstallconfigurediff">trunk/dports/science/quantum-espresso/files/patch-install-configure.diff</a></li>
</ul>
</div>
<div id="patch">
<h3>Diff</h3>
<a id="trunkdportssciencequantumespressoPortfile"></a>
<div class="modfile"><h4>Modified: trunk/dports/science/quantum-espresso/Portfile (154065 => 154066)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/Portfile 2016-10-19 15:17:47 UTC (rev 154065)
+++ trunk/dports/science/quantum-espresso/Portfile 2016-10-19 18:24:15 UTC (rev 154066)
</span><span class="lines">@@ -6,12 +6,11 @@
</span><span class="cx"> PortGroup linear_algebra 1.0
</span><span class="cx">
</span><span class="cx"> name quantum-espresso
</span><del>-version 5.4.0
-revision 1
</del><ins>+version 6.0
</ins><span class="cx"> categories science
</span><span class="cx"> platforms darwin
</span><span class="cx"> license GPL-2
</span><del>-maintainers dstrubbe
</del><ins>+maintainers dstrubbe openmaintainer
</ins><span class="cx">
</span><span class="cx"> description Plane-wave density-functional theory code
</span><span class="cx">
</span><span class="lines">@@ -22,38 +21,28 @@
</span><span class="cx">
</span><span class="cx"> homepage http://www.quantum-espresso.org
</span><span class="cx"> # get link from http://www.qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=18
</span><del>-set url http://www.qe-forge.org/gf/download/frsrelease/211
</del><ins>+set url http://www.qe-forge.org/gf/download/frsrelease/224
+master_sites ${url}/1044:espresso ${url}/1043:examples
+distfiles qe-${version}${extract.suffix}:espresso \
+ qe-${version}-examples${extract.suffix}:examples
+checksums qe-${version}${extract.suffix} \
+ rmd160 5e0246fc8e71472783de7a25cac507e2842c147b \
+ sha256 2481d9291e4f85652af204c1b702caee8900a644fb62c8a510a8127e8571ba9d \
+ qe-${version}-examples${extract.suffix} \
+ rmd160 c9fad14013d20dfeec88d9e0e6bf8bd4682d73e2 \
+ sha256 8f5e6b40fe5fedcbc45b9e039ba5d4fc0d0d51c5d0f81033376c33683f01fdbf
</ins><span class="cx">
</span><del>-master_sites ${url}/968:espresso ${url}/954:atomic ${url}/962:PHonon
-distfiles espresso-${version}${extract.suffix}:espresso \
- atomic-${version}${extract.suffix}:atomic \
- PHonon-${version}${extract.suffix}:PHonon
-
-checksums espresso-${version}${extract.suffix} \
- rmd160 bc2030283f11a5681a4d7247b8397cef952e15d9 \
- sha256 c2d4f581496ab358c109250192f0ccb8d731aa1a531ac3132b10e16f052352d1 \
- atomic-${version}${extract.suffix} \
- rmd160 527856129fb7f809fce4329f77bb906667d9e02d \
- sha256 90167369d704d670c393d3798db9ecd8e220343206e17df30e220c4f643e15ab \
- PHonon-${version}${extract.suffix} \
- rmd160 53acd4295b5473ca9a9e8c19b97e3c6fa43a9caf \
- sha256 b1c43c6fed2b2619793e78a666a482c7d12875307bf8db96125e20dd30325fe0
-
</del><span class="cx"> depends_lib-append port:fftw-3
</span><span class="cx">
</span><ins>+distname qe-${version}
</ins><span class="cx"> use_autoconf yes
</span><span class="cx"> autoconf.args -i
</span><del>-autoconf.dir ${worksrcpath}/../espresso-${version}/install
</del><ins>+autoconf.dir ${worksrcpath}/install
</ins><span class="cx">
</span><del>-#patch-install-configure.diff
</del><span class="cx"> patchfiles \
</span><span class="cx"> patch-install-m4-x_ac_qe_f90.m4.diff \
</span><del>- patch-install-configure.ac.diff \
</del><span class="cx"> patch-install-m4-x_ac_qe_mpif90.m4.diff \
</span><del>- patch-Makefile.diff \
- patch-PHonon-examples-GRID_example-run_example_3.diff \
- patch-PW-src-punch.f90.diff \
- patch-Modules-Makefile.diff
</del><ins>+ patch-Makefile.diff
</ins><span class="cx">
</span><span class="cx"> compilers.choose cc fc
</span><span class="cx"> # g95 is not compatible with OpenMP
</span><span class="lines">@@ -61,6 +50,10 @@
</span><span class="cx">
</span><span class="cx"> configure.optflags -O3
</span><span class="cx">
</span><ins>+post-extract {
+ move ${worksrcpath}/../Examples ${worksrcpath}
+}
+
</ins><span class="cx"> pre-test {
</span><span class="cx"> if {[mpi_variant_isset]} {
</span><span class="cx"> if {![catch {sysctl hw.ncpu} result]} {
</span><span class="lines">@@ -81,23 +74,17 @@
</span><span class="cx"> # note: this will download some pseudopotentials and maybe other stuff
</span><span class="cx"> test {
</span><span class="cx"> ui_msg "Running PW examples"
</span><del>- system -W ${worksrcpath}/PW/examples "./run_all_examples"
</del><ins>+ system -W ${worksrcpath}/Examples/PW "./run_all_examples"
</ins><span class="cx">
</span><span class="cx"> # some PHonon tests will use gnuplot if available
</span><span class="cx"> ui_msg "Running PHonon examples"
</span><del>- system -W ${worksrcpath}/PHonon/examples "./run_all_examples"
</del><ins>+ system -W ${worksrcpath}/Examples/PHonon "./run_all_examples"
</ins><span class="cx"> ui_msg "Inspect logfile to see if tests passed."
</span><span class="cx"> }
</span><span class="cx">
</span><del>-distname espresso-${version}
</del><ins>+# error has been found to occur for Examples/PW/vdWDF
+# :info:test running the graphite cell relaxation...application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3
</ins><span class="cx">
</span><del>-post-extract {
- move ${worksrcpath}/../PHonon ${worksrcpath}
- move ${worksrcpath}/../QHA ${worksrcpath}
- move ${worksrcpath}/../PlotPHon ${worksrcpath}
- move ${worksrcpath}/../atomic ${worksrcpath}
-}
-
</del><span class="cx"> configure.args-append --prefix=${destroot}${prefix}/bin --with-scalapack=no
</span><span class="cx">
</span><span class="cx"> pre-configure {
</span><span class="lines">@@ -105,7 +92,7 @@
</span><span class="cx"> configure.args-append FC=${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="${linalglib}" LAPACK_LIBS="${linalglib}" FFT_LIBS="${prefix}/lib/libfftw3.dylib" \
</del><ins>+ BLAS_LIBS="${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></pre></div>
<a id="trunkdportssciencequantumespressofilespatchMakefilediff"></a>
<div class="modfile"><h4>Modified: trunk/dports/science/quantum-espresso/files/patch-Makefile.diff (154065 => 154066)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-Makefile.diff 2016-10-19 15:17:47 UTC (rev 154065)
+++ trunk/dports/science/quantum-espresso/files/patch-Makefile.diff 2016-10-19 18:24:15 UTC (rev 154066)
</span><span class="lines">@@ -1,26 +1,24 @@
</span><del>---- Makefile.orig 2016-05-19 15:15:27.000000000 -0400
-+++ Makefile 2016-05-19 15:26:25.000000000 -0400
-@@ -62,6 +62,9 @@
</del><ins>+--- Makefile.orig 2016-10-18 14:56:06.000000000 -0700
++++ Makefile 2016-10-18 14:59:34.000000000 -0700
+@@ -64,6 +64,9 @@
</ins><span class="cx"> # If "|| exit 1" is not present, the error code from make in subdirectories
</span><span class="cx"> # is not returned and make goes on even if compilation has failed
</span><span class="cx">
</span><span class="cx"> +all-j :
</span><span class="cx"> + $(MAKE) pw && $(MAKE) pp && $(MAKE) ph && $(MAKE) ld1 && $(MAKE) upf && $(MAKE) cp
</span><span class="cx"> +
</span><del>- pw : bindir libfft libla mods liblapack libblas libs libiotk
</del><ins>+ pw : bindir libfft libla mods liblapack libs libiotk
</ins><span class="cx"> if test -d PW ; then \
</span><span class="cx"> ( cd PW ; $(MAKE) TLDEPS= all || exit 1) ; fi
</span><del>-@@ -78,8 +81,11 @@
- if test -d CPV ; then \
</del><ins>+@@ -77,8 +80,9 @@
</ins><span class="cx"> ( cd CPV ; $(MAKE) TLDEPS= all || exit 1) ; fi
</span><span class="cx">
</span><del>--ph : bindir libfft libla mods libs pw
-- ( cd install ; $(MAKE) -f plugins_makefile phonon || exit 1 )
-+ph : bindir libfft libla mods libs pw lr-lib
-+ ( cd PHonon/PH ; $(MAKE) all ; cd .. || exit 1 )
-+ ( cd PHonon/Gamma ; $(MAKE) all ; cd .. || exit 1 )
-+ ( cd PHonon/D3 ; $(MAKE) all ; cd .. || exit 1 )
-+ ( cd PHonon/FD ; $(MAKE) all ; cd .. || exit 1 )
</del><ins>+ ph : bindir libfft libla mods libs pw lrmods
+- if test -d PHonon; then \
+- (cd PHonon; $(MAKE) all || exit 1) ; fi
++ ( cd PHonon/PH && $(MAKE) all ; cd .. || exit 1 )
++ ( cd PHonon/Gamma && $(MAKE) all ; cd .. || exit 1 )
++ ( cd PHonon/FD && $(MAKE) all ; cd .. || exit 1 )
</ins><span class="cx">
</span><span class="cx"> neb : bindir libfft libla mods libs pw
</span><del>- ( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
</del><ins>+ if test -d NEB; then \
</ins></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchModulesMakefilediff"></a>
<div class="delfile"><h4>Deleted: trunk/dports/science/quantum-espresso/files/patch-Modules-Makefile.diff (154065 => 154066)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-Modules-Makefile.diff 2016-10-19 15:17:47 UTC (rev 154065)
+++ trunk/dports/science/quantum-espresso/files/patch-Modules-Makefile.diff 2016-10-19 18:24:15 UTC (rev 154066)
</span><span class="lines">@@ -1,33 +0,0 @@
</span><del>---- Modules/Makefile.orig 2016-05-17 13:38:30.000000000 -0400
-+++ Modules/Makefile 2016-05-17 13:39:41.000000000 -0400
-@@ -154,20 +154,7 @@
-
- TLDEPS=libfft
-
--all : version version.o libqemod.a
--
--## If no update_version is found, or it is not executable,
--## just copy version.f90.in (that contains 'version=unknown').
--## We use cat and not cp so that version.f90 has a new timestamp,
--## forcing recompilation of version.f90.
--## We use the inner if to avoid recompilation at each make.
--version:
-- - ( if test -x ../install/update_version ; then \
-- ../install/update_version; \
-- else if test ! -f version.f90 ; then \
-- cat version.f90.in > version.f90 ; fi ; fi )
--
--version.f90: version
-+all : version.o libqemod.a
-
- ## The following is needed only for lapack compiled from sources
-
-@@ -184,7 +171,7 @@
-
-
- clean :
-- - /bin/rm -f *.o *.a *.d *.i *~ *.F90 *.mod *.L version.f90
-+ - /bin/rm -f *.o *.a *.d *.i *~ *.F90 *.mod *.L
-
- # .PHONY forces execution of a rule irrespective of the presence of an
- # updated file with the same name of the rule. In this way, the script
</del></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchPHononexamplesGRID_examplerun_example_3diff"></a>
<div class="delfile"><h4>Deleted: trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff (154065 => 154066)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff 2016-10-19 15:17:47 UTC (rev 154065)
+++ trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff 2016-10-19 18:24:15 UTC (rev 154066)
</span><span class="lines">@@ -1,37 +0,0 @@
</span><del>---- PHonon/examples/GRID_example/run_example_3.orig 2016-05-16 15:43:06.000000000 -0400
-+++ PHonon/examples/GRID_example/run_example_3 2016-05-16 15:44:31.000000000 -0400
-@@ -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"
- #
-@@ -269,6 +267,7 @@
- EOF
-
- $ECHO " transforming C(q) => C(R)...\c"
-+mv $PREFIX.dyn0 $PREFIX.dyn0.xml
- $Q2R_COMMAND < q2r.in > q2r.out
- check_failure $?
- $ECHO " done"
</del></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchPWsrcpunchf90diff"></a>
<div class="delfile"><h4>Deleted: trunk/dports/science/quantum-espresso/files/patch-PW-src-punch.f90.diff (154065 => 154066)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-PW-src-punch.f90.diff 2016-10-19 15:17:47 UTC (rev 154065)
+++ trunk/dports/science/quantum-espresso/files/patch-PW-src-punch.f90.diff 2016-10-19 18:24:15 UTC (rev 154066)
</span><span class="lines">@@ -1,14 +0,0 @@
</span><del>---- PW/src/punch.f90 (revision 12387)
-+++ PW/src/punch.f90 (working copy)
-@@ -38,9 +38,9 @@
- ! ... save here wavefunctions to file if never saved before
- !
- IF ( .NOT. twfcollect .AND. nks == 1 ) THEN
-- if(io_level < 1) CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
-+ IF (io_level < 1) CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
- CALL davcio ( evc, 2*nwordwfc, iunwfc, nks, 1 )
-- CLOSE ( UNIT=iunwfc, STATUS='keep' )
-+ IF (io_level < 1) CLOSE ( UNIT=iunwfc, STATUS='keep' )
- END IF
- iunpun = 4
- !
</del></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchinstallconfigureacdiff"></a>
<div class="delfile"><h4>Deleted: trunk/dports/science/quantum-espresso/files/patch-install-configure.ac.diff (154065 => 154066)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-install-configure.ac.diff 2016-10-19 15:17:47 UTC (rev 154065)
+++ trunk/dports/science/quantum-espresso/files/patch-install-configure.ac.diff 2016-10-19 18:24:15 UTC (rev 154066)
</span><span class="lines">@@ -1,11 +0,0 @@
</span><del>---- install/configure.ac.orig 2016-04-21 13:55:47.000000000 -0400
-+++ install/configure.ac 2016-04-21 13:56:05.000000000 -0400
-@@ -36,7 +36,7 @@
- # Check environ...
- X_AC_QE_ENVIRON()
-
--# Checking MPIF90...
-+# Checking CC...
- X_AC_QE_CC()
-
- # Checking FFTW pointers...
</del></span></pre></div>
<a id="trunkdportssciencequantumespressofilespatchinstallconfigurediff"></a>
<div class="delfile"><h4>Deleted: trunk/dports/science/quantum-espresso/files/patch-install-configure.diff (154065 => 154066)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/quantum-espresso/files/patch-install-configure.diff 2016-10-19 15:17:47 UTC (rev 154065)
+++ trunk/dports/science/quantum-espresso/files/patch-install-configure.diff 2016-10-19 18:24:15 UTC (rev 154066)
</span><span class="lines">@@ -1,355 +0,0 @@
</span><del>---- install/configure.orig 2016-02-24 19:24:19.000000000 -0500
-+++ install/configure 2016-02-24 19:25:32.000000000 -0500
-@@ -3327,105 +3327,6 @@
- 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"`
-- nagfor_version=`$mpif90 -v 2>&1 | grep "NAG Fortran"`
-- #
-- if test "$ifort_version" != ""
-- then
-- version=`$mpif90 -V 2>&1 | grep Version |
-- sed 's/.*Version//' | awk '{print }'`
-- 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 $sunf95_version | awk '{print }'`
-- echo "${ECHO_T}sunf95 $version"
-- f90_in_mpif90="sunf95"
-- elif test "$openf95_version" != ""
-- then
-- version=`echo $openf95_version | awk '{print }'`
-- echo "${ECHO_T}openf95 $version"
-- f90_in_mpif90="openf95"
-- elif test "$pgf_version" != ""
-- then
-- version=`echo $pgf_version | awk '{print }'`
-- echo "${ECHO_T}pgf90 $version"
-- f90_in_mpif90="pgf90"
-- # flag to test MKL with PGI
-- MKL_FLAGS="-pgf90libs"
-- elif test "$enzo_version" != ""
-- then
-- version=`echo $enzo_version | awk '{print }'`
-- echo "${ECHO_T}pathf95 $version"
-- f90_in_mpif90="pathf95"
-- elif test "$eko_version" != ""
-- then
-- version=`echo $eko_version | awk '{print }'`
-- echo "${ECHO_T}pathf95 $version"
-- f90_in_mpif90="pathf95"
-- elif test "$g95_version" != ""
-- then
-- version=`echo $g95_version | awk '{print }'`
-- echo "${ECHO_T}g95 $version"
-- f90_in_mpif90="g95"
-- elif test "$pathf95_version" != ""
-- then
-- version=`echo $pathf95_version | awk '{print }'`
-- echo "${ECHO_T}pathf95 $version"
-- f90_in_mpif90="pathf95"
-- elif test "$gfortran_version" != ""
-- then
-- version=`echo $gfortran_version | awk '{print }'`
-- echo "${ECHO_T}gfortran $version"
-- f90_in_mpif90="gfortran"
-- elif test "$nagfor_version" != ""
-- then
-- # NAG 6.0 has the codename attached to version number... annoying
-- version=`echo $nagfor_version | awk '{print }'`
-- echo "${ECHO_T}nagfor $version"
-- f90_in_mpif90="nagfor"
-- else
-- echo "${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
-
-@@ -5676,246 +5577,6 @@
-
- echo using F90... $f90
-
--case "$arch:$f90_version" in
--ia32:ifort* | ia64:ifort* | x86_64:ifort* | mac686:ifort* | crayxt*:ifort* )
-- try_fflags="-O2 -assume byterecl -g -traceback -par-report0 -vec-report0"
-- if test "$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 "
-- ;;
--x86_64:nagfor* )
-- try_fflags="-O3 -kind=byte -dcfuns -mismatch"
-- if test "$use_debug" -eq 1; then
-- try_fflags="$try_fflags -g"
-- fi
-- try_fflags_nomain=""
-- try_fflags_openmp="-openmp"
-- try_f90flags="-O3 -kind=byte -dcfuns -mismatch"
-- try_fflags_noopt="-O0 -kind=byte -dcfuns -mismatch"
-- try_ldflags=""
-- try_ldflags_static="-unsharedrts"
-- try_ldflags_openmp="-openmp"
-- # -D__GFORTRAN needed
-- try_dflags="$try_dflags -D__NAG -D__GFORTRAN"
-- have_cpp=0
-- ;;
--ia32:pgf* | ia64:pgf* | x86_64:pgf* )
-- try_fflags_nomain="-Mnomain"
-- try_fflags="-fast -r8"
-- try_fflags_openmp="-mp"
-- try_f90flags="-fast -r8 -Mcache_align"
-- try_fflags_noopt="-O0"
-- try_ldflags=""
-- try_ldflags_openmp="-mp"
-- try_ldflags_static="-Bstatic"
-- try_dflags="$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
-
</del></span></pre>
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