[154066] trunk/dports/science/quantum-espresso

dstrubbe at macports.org dstrubbe at macports.org
Wed Oct 19 20:24:16 CEST 2016


Revision: 154066
          https://trac.macports.org/changeset/154066
Author:   dstrubbe at macports.org
Date:     2016-10-19 11:24:15 -0700 (Wed, 19 Oct 2016)
Log Message:
-----------
quantum-espresso: Update to 6.0, including adapting to new directory/archive structure, removing patches which were incorporated by upstream, and adding openmaintainer.

Modified Paths:
--------------
    trunk/dports/science/quantum-espresso/Portfile
    trunk/dports/science/quantum-espresso/files/patch-Makefile.diff

Removed Paths:
-------------
    trunk/dports/science/quantum-espresso/files/patch-Modules-Makefile.diff
    trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff
    trunk/dports/science/quantum-espresso/files/patch-PW-src-punch.f90.diff
    trunk/dports/science/quantum-espresso/files/patch-install-configure.ac.diff
    trunk/dports/science/quantum-espresso/files/patch-install-configure.diff

Modified: trunk/dports/science/quantum-espresso/Portfile
===================================================================
--- 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)
@@ -6,12 +6,11 @@
 PortGroup           linear_algebra 1.0
 
 name                quantum-espresso
-version             5.4.0
-revision            1
+version             6.0
 categories          science
 platforms           darwin
 license             GPL-2
-maintainers         dstrubbe
+maintainers         dstrubbe openmaintainer
 
 description         Plane-wave density-functional theory code
 
@@ -22,38 +21,28 @@
 
 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/211
+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
 
-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
-
 depends_lib-append  port:fftw-3
 
+distname qe-${version}
 use_autoconf        yes
 autoconf.args       -i
-autoconf.dir        ${worksrcpath}/../espresso-${version}/install
+autoconf.dir        ${worksrcpath}/install
 
-#patch-install-configure.diff
 patchfiles          \
     patch-install-m4-x_ac_qe_f90.m4.diff \
-    patch-install-configure.ac.diff \
     patch-install-m4-x_ac_qe_mpif90.m4.diff \
-    patch-Makefile.diff \
-    patch-PHonon-examples-GRID_example-run_example_3.diff \
-    patch-PW-src-punch.f90.diff \
-    patch-Modules-Makefile.diff
+    patch-Makefile.diff
 
 compilers.choose    cc fc
 # g95 is not compatible with OpenMP
@@ -61,6 +50,10 @@
 
 configure.optflags  -O3
 
+post-extract {
+    move ${worksrcpath}/../Examples    ${worksrcpath}
+}
+
 pre-test {
     if {[mpi_variant_isset]} {
         if {![catch {sysctl hw.ncpu} result]} {
@@ -81,23 +74,17 @@
 # note: this will download some pseudopotentials and maybe other stuff
 test {
     ui_msg "Running PW examples"
-    system -W ${worksrcpath}/PW/examples "./run_all_examples"
+    system -W ${worksrcpath}/Examples/PW "./run_all_examples"
 
     # some PHonon tests will use gnuplot if available
     ui_msg "Running PHonon examples"
-    system -W ${worksrcpath}/PHonon/examples "./run_all_examples"
+    system -W ${worksrcpath}/Examples/PHonon "./run_all_examples"
     ui_msg "Inspect logfile to see if tests passed."
 }
 
-distname espresso-${version}
+# 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
 
-post-extract {
-    move ${worksrcpath}/../PHonon    ${worksrcpath}
-    move ${worksrcpath}/../QHA       ${worksrcpath}
-    move ${worksrcpath}/../PlotPHon  ${worksrcpath}
-    move ${worksrcpath}/../atomic    ${worksrcpath}
-}
-
 configure.args-append   --prefix=${destroot}${prefix}/bin --with-scalapack=no
 
 pre-configure {
@@ -105,7 +92,7 @@
     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="${configure.cflags}" \
-        BLAS_LIBS="${linalglib}" LAPACK_LIBS="${linalglib}" FFT_LIBS="${prefix}/lib/libfftw3.dylib" \
+        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}"

Modified: trunk/dports/science/quantum-espresso/files/patch-Makefile.diff
===================================================================
--- 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)
@@ -1,26 +1,24 @@
---- Makefile.orig	2016-05-19 15:15:27.000000000 -0400
-+++ Makefile	2016-05-19 15:26:25.000000000 -0400
-@@ -62,6 +62,9 @@
+--- Makefile.orig	2016-10-18 14:56:06.000000000 -0700
++++ Makefile	2016-10-18 14:59:34.000000000 -0700
+@@ -64,6 +64,9 @@
  # 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 && $(MAKE) cp
 +
- pw : bindir libfft libla mods liblapack libblas libs libiotk 
+ pw : bindir libfft libla mods liblapack libs libiotk 
  	if test -d PW ; then \
  	( cd PW ; $(MAKE) TLDEPS= all || exit 1) ; fi
-@@ -78,8 +81,11 @@
- 	if test -d CPV ; then \
+@@ -77,8 +80,9 @@
  	( cd CPV ; $(MAKE) TLDEPS= all || exit 1) ; fi
  
--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 )
+ 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 )
  
  neb : bindir libfft libla mods libs pw
- 	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
+ 	if test -d NEB; then \

Deleted: trunk/dports/science/quantum-espresso/files/patch-Modules-Makefile.diff
===================================================================
--- 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)
@@ -1,33 +0,0 @@
---- 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 

Deleted: trunk/dports/science/quantum-espresso/files/patch-PHonon-examples-GRID_example-run_example_3.diff
===================================================================
--- 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)
@@ -1,37 +0,0 @@
---- 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"

Deleted: trunk/dports/science/quantum-espresso/files/patch-PW-src-punch.f90.diff
===================================================================
--- 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)
@@ -1,14 +0,0 @@
---- 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
-   !

Deleted: trunk/dports/science/quantum-espresso/files/patch-install-configure.ac.diff
===================================================================
--- 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)
@@ -1,11 +0,0 @@
---- 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...

Deleted: trunk/dports/science/quantum-espresso/files/patch-install-configure.diff
===================================================================
--- 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)
@@ -1,355 +0,0 @@
---- 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
- 
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