From 693ac9b8464ea4d34810b78a36e4a0ce3d2cc2c6 Mon Sep 17 00:00:00 2001
From: Paolo Giannozzi
Date: Sun, 3 Jul 2022 12:02:31 +0200
Subject: [PATCH 1/2] [skip-CI] Remove any references to F77 in configure
---
Modules/Makefile | 5 -
install/configure | 704 +++++++-------------------------
install/configure.ac | 5 +-
install/m4/x_ac_qe_cuda.m4 | 3 -
install/m4/x_ac_qe_fft.m4 | 3 -
install/m4/x_ac_qe_hdf5.m4 | 8 +-
install/m4/x_ac_qe_mpif90.m4 | 2 -
install/m4/x_ac_qe_scalapack.m4 | 1 -
8 files changed, 150 insertions(+), 581 deletions(-)
diff --git a/Modules/Makefile b/Modules/Makefile
index 7469d2551..e0df5404f 100644
--- a/Modules/Makefile
+++ b/Modules/Makefile
@@ -227,11 +227,6 @@ TLDEPS= libfox libla libfft libutil libmbd librxc libupf
all : libqemod.a
-## The following is needed only for lapack compiled from sources
-
-dlamch.o : dlamch.f
- $(F77) $(FFLAGS_NOOPT) -c $<
-
libqemod.a: $(MODULES) $(OBJS) $(RISMLIB)
$(AR) $(ARFLAGS) $@ $?
$(RANLIB) $@
diff --git a/install/configure b/install/configure
index c8f62eb73..063ae8e02 100755
--- a/install/configure
+++ b/install/configure
@@ -673,9 +673,6 @@ lapack_target
lapack_libs
blas_line
blas_libs
-ac_ct_F77
-FFLAGS
-F77
f90rule
SET_MAKE
cuda_extlibs
@@ -737,6 +734,7 @@ infodir
docdir
oldincludedir
includedir
+runstatedir
localstatedir
sharedstatedir
sysconfdir
@@ -774,7 +772,6 @@ with_libxc
with_libxc_prefix
with_libxc_include
with_scalapack
-with_scalapack_qrcp
with_elpa_include
with_elpa_lib
with_elpa_version
@@ -794,9 +791,7 @@ LDFLAGS
LIBS
CC
CFLAGS
-CPPFLAGS
-F77
-FFLAGS'
+CPPFLAGS'
# Initialize some variables set by options.
@@ -835,6 +830,7 @@ datadir='${datarootdir}'
sysconfdir='${prefix}/etc'
sharedstatedir='${prefix}/com'
localstatedir='${prefix}/var'
+runstatedir='${localstatedir}/run'
includedir='${prefix}/include'
oldincludedir='/usr/include'
docdir='${datarootdir}/doc/${PACKAGE_TARNAME}'
@@ -1087,6 +1083,15 @@ do
| -silent | --silent | --silen | --sile | --sil)
silent=yes ;;
+ -runstatedir | --runstatedir | --runstatedi | --runstated \
+ | --runstate | --runstat | --runsta | --runst | --runs \
+ | --run | --ru | --r)
+ ac_prev=runstatedir ;;
+ -runstatedir=* | --runstatedir=* | --runstatedi=* | --runstated=* \
+ | --runstate=* | --runstat=* | --runsta=* | --runst=* | --runs=* \
+ | --run=* | --ru=* | --r=*)
+ runstatedir=$ac_optarg ;;
+
-sbindir | --sbindir | --sbindi | --sbind | --sbin | --sbi | --sb)
ac_prev=sbindir ;;
-sbindir=* | --sbindir=* | --sbindi=* | --sbind=* | --sbin=* \
@@ -1224,7 +1229,7 @@ fi
for ac_var in exec_prefix prefix bindir sbindir libexecdir datarootdir \
datadir sysconfdir sharedstatedir localstatedir includedir \
oldincludedir docdir infodir htmldir dvidir pdfdir psdir \
- libdir localedir mandir
+ libdir localedir mandir runstatedir
do
eval ac_val=\$$ac_var
# Remove trailing slashes.
@@ -1377,6 +1382,7 @@ Fine tuning of the installation directories:
--sysconfdir=DIR read-only single-machine data [PREFIX/etc]
--sharedstatedir=DIR modifiable architecture-independent data [PREFIX/com]
--localstatedir=DIR modifiable single-machine data [PREFIX/var]
+ --runstatedir=DIR modifiable per-process data [LOCALSTATEDIR/run]
--libdir=DIR object code libraries [EPREFIX/lib]
--includedir=DIR C header files [PREFIX/include]
--oldincludedir=DIR C header files for non-gcc [/usr/include]
@@ -1477,8 +1483,6 @@ Some influential environment variables:
CFLAGS C compiler flags
CPPFLAGS (Objective) C/C++ preprocessor flags, e.g. -I if
you have headers in a nonstandard directory
- F77 Fortran 77 compiler command
- FFLAGS Fortran 77 compiler flags
Use these variables to override the choices made by `configure' or to help
it to find libraries and programs with nonstandard names/locations.
@@ -1636,90 +1640,6 @@ fi
} # ac_fn_c_try_compile
-# ac_fn_f77_try_compile LINENO
-# ----------------------------
-# Try to compile conftest.$ac_ext, and return whether this succeeded.
-ac_fn_f77_try_compile ()
-{
- as_lineno=${as_lineno-"$1"} as_lineno_stack=as_lineno_stack=$as_lineno_stack
- rm -f conftest.$ac_objext
- if { { ac_try="$ac_compile"
-case "(($ac_try" in
- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
- *) ac_try_echo=$ac_try;;
-esac
-eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\""
-$as_echo "$ac_try_echo"; } >&5
- (eval "$ac_compile") 2>conftest.err
- ac_status=$?
- if test -s conftest.err; then
- grep -v '^ *+' conftest.err >conftest.er1
- cat conftest.er1 >&5
- mv -f conftest.er1 conftest.err
- fi
- $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5
- test $ac_status = 0; } && {
- test -z "$ac_f77_werror_flag" ||
- test ! -s conftest.err
- } && test -s conftest.$ac_objext; then :
- ac_retval=0
-else
- $as_echo "$as_me: failed program was:" >&5
-sed 's/^/| /' conftest.$ac_ext >&5
-
- ac_retval=1
-fi
- eval $as_lineno_stack; ${as_lineno_stack:+:} unset as_lineno
- as_fn_set_status $ac_retval
-
-} # ac_fn_f77_try_compile
-
-# ac_fn_f77_try_link LINENO
-# -------------------------
-# Try to link conftest.$ac_ext, and return whether this succeeded.
-ac_fn_f77_try_link ()
-{
- as_lineno=${as_lineno-"$1"} as_lineno_stack=as_lineno_stack=$as_lineno_stack
- rm -f conftest.$ac_objext conftest$ac_exeext
- if { { ac_try="$ac_link"
-case "(($ac_try" in
- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
- *) ac_try_echo=$ac_try;;
-esac
-eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\""
-$as_echo "$ac_try_echo"; } >&5
- (eval "$ac_link") 2>conftest.err
- ac_status=$?
- if test -s conftest.err; then
- grep -v '^ *+' conftest.err >conftest.er1
- cat conftest.er1 >&5
- mv -f conftest.er1 conftest.err
- fi
- $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5
- test $ac_status = 0; } && {
- test -z "$ac_f77_werror_flag" ||
- test ! -s conftest.err
- } && test -s conftest$ac_exeext && {
- test "$cross_compiling" = yes ||
- test -x conftest$ac_exeext
- }; then :
- ac_retval=0
-else
- $as_echo "$as_me: failed program was:" >&5
-sed 's/^/| /' conftest.$ac_ext >&5
-
- ac_retval=1
-fi
- # Delete the IPA/IPO (Inter Procedural Analysis/Optimization) information
- # created by the PGI compiler (conftest_ipa8_conftest.oo), as it would
- # interfere with the next link command; also delete a directory that is
- # left behind by Apple's compiler. We do this before executing the actions.
- rm -rf conftest.dSYM conftest_ipa8_conftest.oo
- eval $as_lineno_stack; ${as_lineno_stack:+:} unset as_lineno
- as_fn_set_status $ac_retval
-
-} # ac_fn_f77_try_link
-
# ac_fn_fc_try_link LINENO
# ------------------------
# Try to link conftest.$ac_ext, and return whether this succeeded.
@@ -2403,7 +2323,11 @@ fi
-# Checking MPIF90...
+ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
+
ac_ext=${ac_fc_srcext-f}
ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
@@ -2841,13 +2765,68 @@ if test $ac_compiler_gnu = yes; then
else
GFC=
fi
-ac_ext=c
-ac_cpp='$CPP $CPPFLAGS'
-ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
-ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_c_compiler_gnu
+ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
+ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran flag to compile .f90 files" >&5
+$as_echo_n "checking for Fortran flag to compile .f90 files... " >&6; }
+if ${ac_cv_fc_srcext_f90+:} false; then :
+ $as_echo_n "(cached) " >&6
+else
+ ac_ext=f90
+ac_fcflags_srcext_save=$ac_fcflags_srcext
+ac_fcflags_srcext=
+ac_cv_fc_srcext_f90=unknown
+case $ac_ext in #(
+ [fF]77) ac_try=f77;; #(
+ *) ac_try=f95;;
+esac
+for ac_flag in none -qsuffix=f=f90 -Tf "-x $ac_try"; do
+ test "x$ac_flag" != xnone && ac_fcflags_srcext="$ac_flag"
+ cat > conftest.$ac_ext <<_ACEOF
+ program main
+
+ end
+_ACEOF
+if ac_fn_fc_try_compile "$LINENO"; then :
+ ac_cv_fc_srcext_f90=$ac_flag; break
+fi
+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
+done
+rm -f conftest.$ac_objext conftest.f90
+ac_fcflags_srcext=$ac_fcflags_srcext_save
+
+fi
+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_srcext_f90" >&5
+$as_echo "$ac_cv_fc_srcext_f90" >&6; }
+if test "x$ac_cv_fc_srcext_f90" = xunknown; then
+ as_fn_error $? "Fortran could not compile .f90 files" "$LINENO" 5
+else
+ ac_fc_srcext=f90
+ if test "x$ac_cv_fc_srcext_f90" = xnone; then
+ ac_fcflags_srcext=""
+ FCFLAGS_f90=""
+ else
+ ac_fcflags_srcext=$ac_cv_fc_srcext_f90
+ FCFLAGS_f90=$ac_cv_fc_srcext_f90
+ fi
+
+
+fi
+ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
+
+
+# Checking MPIF90...
# Check whether --enable-parallel was given.
@@ -3162,11 +3141,10 @@ if test $ac_compiler_gnu = yes; then
else
GFC=
fi
-ac_ext=c
-ac_cpp='$CPP $CPPFLAGS'
-ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
-ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_c_compiler_gnu
+ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
# this avoids that an empty MPIF90 field is produced if the corresponding
# environment variable MPIF90 does not contain an acceptable compiler
@@ -3285,62 +3263,6 @@ ftn )
;;
esac
-ac_ext=${ac_fc_srcext-f}
-ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
-ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_fc_compiler_gnu
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran flag to compile .f90 files" >&5
-$as_echo_n "checking for Fortran flag to compile .f90 files... " >&6; }
-if ${ac_cv_fc_srcext_f90+:} false; then :
- $as_echo_n "(cached) " >&6
-else
- ac_ext=f90
-ac_fcflags_srcext_save=$ac_fcflags_srcext
-ac_fcflags_srcext=
-ac_cv_fc_srcext_f90=unknown
-case $ac_ext in #(
- [fF]77) ac_try=f77;; #(
- *) ac_try=f95;;
-esac
-for ac_flag in none -qsuffix=f=f90 -Tf "-x $ac_try"; do
- test "x$ac_flag" != xnone && ac_fcflags_srcext="$ac_flag"
- cat > conftest.$ac_ext <<_ACEOF
- program main
-
- end
-_ACEOF
-if ac_fn_fc_try_compile "$LINENO"; then :
- ac_cv_fc_srcext_f90=$ac_flag; break
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-done
-rm -f conftest.$ac_objext conftest.f90
-ac_fcflags_srcext=$ac_fcflags_srcext_save
-
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_srcext_f90" >&5
-$as_echo "$ac_cv_fc_srcext_f90" >&6; }
-if test "x$ac_cv_fc_srcext_f90" = xunknown; then
- as_fn_error $? "Fortran could not compile .f90 files" "$LINENO" 5
-else
- ac_fc_srcext=f90
- if test "x$ac_cv_fc_srcext_f90" = xnone; then
- ac_fcflags_srcext=""
- FCFLAGS_f90=""
- else
- ac_fcflags_srcext=$ac_cv_fc_srcext_f90
- FCFLAGS_f90=$ac_cv_fc_srcext_f90
- fi
-
-
-fi
-ac_ext=c
-ac_cpp='$CPP $CPPFLAGS'
-ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
-ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_c_compiler_gnu
-
-
echo setting F90... $f90
echo setting MPIF90... $mpif90
@@ -3722,11 +3644,10 @@ if test "x$ac_cv_prog_cc_c89" != xno; then :
fi
-ac_ext=c
-ac_cpp='$CPP $CPPFLAGS'
-ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
-ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_c_compiler_gnu
+ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
cc=$CC
@@ -4209,65 +4130,6 @@ then
# -----------------------------------------
# Check compiler
# -----------------------------------------
- ac_ext=${ac_fc_srcext-f}
-ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
-ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_fc_compiler_gnu
-
- ac_ext=${ac_fc_srcext-f}
-ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
-ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_fc_compiler_gnu
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran flag to compile .f90 files" >&5
-$as_echo_n "checking for Fortran flag to compile .f90 files... " >&6; }
-if ${ac_cv_fc_srcext_f90+:} false; then :
- $as_echo_n "(cached) " >&6
-else
- ac_ext=f90
-ac_fcflags_srcext_save=$ac_fcflags_srcext
-ac_fcflags_srcext=
-ac_cv_fc_srcext_f90=unknown
-case $ac_ext in #(
- [fF]77) ac_try=f77;; #(
- *) ac_try=f95;;
-esac
-for ac_flag in none -qsuffix=f=f90 -Tf "-x $ac_try"; do
- test "x$ac_flag" != xnone && ac_fcflags_srcext="$ac_flag"
- cat > conftest.$ac_ext <<_ACEOF
- program main
-
- end
-_ACEOF
-if ac_fn_fc_try_compile "$LINENO"; then :
- ac_cv_fc_srcext_f90=$ac_flag; break
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-done
-rm -f conftest.$ac_objext conftest.f90
-ac_fcflags_srcext=$ac_fcflags_srcext_save
-
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_srcext_f90" >&5
-$as_echo "$ac_cv_fc_srcext_f90" >&6; }
-if test "x$ac_cv_fc_srcext_f90" = xunknown; then
- as_fn_error $? "Fortran could not compile .f90 files" "$LINENO" 5
-else
- ac_fc_srcext=f90
- if test "x$ac_cv_fc_srcext_f90" = xnone; then
- ac_fcflags_srcext=""
- FCFLAGS_f90=""
- else
- ac_fcflags_srcext=$ac_cv_fc_srcext_f90
- FCFLAGS_f90=$ac_cv_fc_srcext_f90
- fi
-
-
-fi
-ac_ext=${ac_fc_srcext-f}
-ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
-ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_fc_compiler_gnu
-
as_CACHEVAR=`$as_echo "ax_cv_check_fcflags__$mMcuda=cuda$with_cuda_runtime" | $as_tr_sh`
{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether Fortran compiler accepts $mMcuda=cuda$with_cuda_runtime" >&5
$as_echo_n "checking whether Fortran compiler accepts $mMcuda=cuda$with_cuda_runtime... " >&6; }
@@ -4297,12 +4159,6 @@ else
have_cudafor=no
fi
- ac_ext=c
-ac_cpp='$CPP $CPPFLAGS'
-ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
-ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_c_compiler_gnu
-
if test "x$have_cudafor" != "xyes"
then
as_fn_error $? "You do not have the cudafor module. Are you using NVHPC compiler?" "$LINENO" 5
@@ -4406,227 +4262,10 @@ fi
-ac_ext=f
-ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
-ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_f77_compiler_gnu
-
-F77=$f90 # use Fortran 90 actually
FFLAGS="$test_fflags"
LDFLAGS="$test_ldflags"
# Checking BLAS...
-ac_ext=f
-ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
-ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_f77_compiler_gnu
-if test -n "$ac_tool_prefix"; then
- for ac_prog in g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77 xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor
- do
- # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
-set dummy $ac_tool_prefix$ac_prog; ac_word=$2
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5
-$as_echo_n "checking for $ac_word... " >&6; }
-if ${ac_cv_prog_F77+:} false; then :
- $as_echo_n "(cached) " >&6
-else
- if test -n "$F77"; then
- ac_cv_prog_F77="$F77" # Let the user override the test.
-else
-as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
-for as_dir in $PATH
-do
- IFS=$as_save_IFS
- test -z "$as_dir" && as_dir=.
- for ac_exec_ext in '' $ac_executable_extensions; do
- if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
- ac_cv_prog_F77="$ac_tool_prefix$ac_prog"
- $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5
- break 2
- fi
-done
- done
-IFS=$as_save_IFS
-
-fi
-fi
-F77=$ac_cv_prog_F77
-if test -n "$F77"; then
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $F77" >&5
-$as_echo "$F77" >&6; }
-else
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5
-$as_echo "no" >&6; }
-fi
-
-
- test -n "$F77" && break
- done
-fi
-if test -z "$F77"; then
- ac_ct_F77=$F77
- for ac_prog in g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77 xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor
-do
- # Extract the first word of "$ac_prog", so it can be a program name with args.
-set dummy $ac_prog; ac_word=$2
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5
-$as_echo_n "checking for $ac_word... " >&6; }
-if ${ac_cv_prog_ac_ct_F77+:} false; then :
- $as_echo_n "(cached) " >&6
-else
- if test -n "$ac_ct_F77"; then
- ac_cv_prog_ac_ct_F77="$ac_ct_F77" # Let the user override the test.
-else
-as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
-for as_dir in $PATH
-do
- IFS=$as_save_IFS
- test -z "$as_dir" && as_dir=.
- for ac_exec_ext in '' $ac_executable_extensions; do
- if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
- ac_cv_prog_ac_ct_F77="$ac_prog"
- $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5
- break 2
- fi
-done
- done
-IFS=$as_save_IFS
-
-fi
-fi
-ac_ct_F77=$ac_cv_prog_ac_ct_F77
-if test -n "$ac_ct_F77"; then
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_F77" >&5
-$as_echo "$ac_ct_F77" >&6; }
-else
- { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5
-$as_echo "no" >&6; }
-fi
-
-
- test -n "$ac_ct_F77" && break
-done
-
- if test "x$ac_ct_F77" = x; then
- F77=""
- else
- case $cross_compiling:$ac_tool_warned in
-yes:)
-{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5
-$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;}
-ac_tool_warned=yes ;;
-esac
- F77=$ac_ct_F77
- fi
-fi
-
-
-# Provide some information about the compiler.
-$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran 77 compiler version" >&5
-set X $ac_compile
-ac_compiler=$2
-for ac_option in --version -v -V -qversion; do
- { { ac_try="$ac_compiler $ac_option >&5"
-case "(($ac_try" in
- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
- *) ac_try_echo=$ac_try;;
-esac
-eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\""
-$as_echo "$ac_try_echo"; } >&5
- (eval "$ac_compiler $ac_option >&5") 2>conftest.err
- ac_status=$?
- if test -s conftest.err; then
- sed '10a\
-... rest of stderr output deleted ...
- 10q' conftest.err >conftest.er1
- cat conftest.er1 >&5
- fi
- rm -f conftest.er1 conftest.err
- $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5
- test $ac_status = 0; }
-done
-rm -f a.out
-
-# If we don't use `.F' as extension, the preprocessor is not run on the
-# input file. (Note that this only needs to work for GNU compilers.)
-ac_save_ext=$ac_ext
-ac_ext=F
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran 77 compiler" >&5
-$as_echo_n "checking whether we are using the GNU Fortran 77 compiler... " >&6; }
-if ${ac_cv_f77_compiler_gnu+:} false; then :
- $as_echo_n "(cached) " >&6
-else
- cat > conftest.$ac_ext <<_ACEOF
- program main
-#ifndef __GNUC__
- choke me
-#endif
-
- end
-_ACEOF
-if ac_fn_f77_try_compile "$LINENO"; then :
- ac_compiler_gnu=yes
-else
- ac_compiler_gnu=no
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-ac_cv_f77_compiler_gnu=$ac_compiler_gnu
-
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_compiler_gnu" >&5
-$as_echo "$ac_cv_f77_compiler_gnu" >&6; }
-ac_ext=$ac_save_ext
-ac_test_FFLAGS=${FFLAGS+set}
-ac_save_FFLAGS=$FFLAGS
-FFLAGS=
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $F77 accepts -g" >&5
-$as_echo_n "checking whether $F77 accepts -g... " >&6; }
-if ${ac_cv_prog_f77_g+:} false; then :
- $as_echo_n "(cached) " >&6
-else
- FFLAGS=-g
-cat > conftest.$ac_ext <<_ACEOF
- program main
-
- end
-_ACEOF
-if ac_fn_f77_try_compile "$LINENO"; then :
- ac_cv_prog_f77_g=yes
-else
- ac_cv_prog_f77_g=no
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_f77_g" >&5
-$as_echo "$ac_cv_prog_f77_g" >&6; }
-if test "$ac_test_FFLAGS" = set; then
- FFLAGS=$ac_save_FFLAGS
-elif test $ac_cv_prog_f77_g = yes; then
- if test "x$ac_cv_f77_compiler_gnu" = xyes; then
- FFLAGS="-g -O2"
- else
- FFLAGS="-g"
- fi
-else
- if test "x$ac_cv_f77_compiler_gnu" = xyes; then
- FFLAGS="-O2"
- else
- FFLAGS=
- fi
-fi
-
-if test $ac_compiler_gnu = yes; then
- G77=yes
-else
- G77=
-fi
-ac_ext=f
-ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
-ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_f77_compiler_gnu
-
-
have_blas=0
@@ -4742,7 +4381,7 @@ for ac_lib in '' $mkl_lib; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $add_mkl_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -4791,7 +4430,7 @@ for ac_lib in '' $mkl_lib; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -l$mkl_omp -lmkl_core $add_mkl_omp $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -4852,7 +4491,7 @@ for ac_lib in '' essl; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -4952,7 +4591,7 @@ for ac_lib in '' armpl_arm; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib yes $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5027,7 +4666,7 @@ for ac_lib in '' armpl; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5075,7 +4714,7 @@ for ac_lib in '' armpl_mp; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5149,7 +4788,7 @@ for ac_lib in '' acml; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5194,7 +4833,7 @@ for ac_lib in '' acml_mp; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5262,7 +4901,7 @@ for ac_lib in '' blas; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5323,7 +4962,7 @@ for ac_lib in '' blas; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5388,7 +5027,7 @@ for ac_lib in '' f77blas; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lg2c $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5455,7 +5094,7 @@ for ac_lib in '' blas-3 openblas blas; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dgemm=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5558,7 +5197,7 @@ for ac_lib in '' lapack; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dspev=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5627,7 +5266,7 @@ for ac_lib in '' lapack-3 lapack; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dspev=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5769,7 +5408,7 @@ for ac_lib in '' fft; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_zftfax=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5837,7 +5476,7 @@ for ac_lib in '' asl; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_zfc3cl=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5922,7 +5561,7 @@ for ac_lib in '' fftw3_omp; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lm $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dfftw_execute_dft=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -5969,7 +5608,7 @@ for ac_lib in '' fftw3_omp; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lfftw3 -lm $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dfftw_execute_dft=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6015,7 +5654,7 @@ for ac_lib in '' fftw3; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lm $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_dfftw_execute_dft=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6045,65 +5684,6 @@ fi
if test "$have_fft" -eq 1
then
- ac_ext=${ac_fc_srcext-f}
-ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
-ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_fc_compiler_gnu
-
- ac_ext=${ac_fc_srcext-f}
-ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
-ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_fc_compiler_gnu
-{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran flag to compile .f90 files" >&5
-$as_echo_n "checking for Fortran flag to compile .f90 files... " >&6; }
-if ${ac_cv_fc_srcext_f90+:} false; then :
- $as_echo_n "(cached) " >&6
-else
- ac_ext=f90
-ac_fcflags_srcext_save=$ac_fcflags_srcext
-ac_fcflags_srcext=
-ac_cv_fc_srcext_f90=unknown
-case $ac_ext in #(
- [fF]77) ac_try=f77;; #(
- *) ac_try=f95;;
-esac
-for ac_flag in none -qsuffix=f=f90 -Tf "-x $ac_try"; do
- test "x$ac_flag" != xnone && ac_fcflags_srcext="$ac_flag"
- cat > conftest.$ac_ext <<_ACEOF
- program main
-
- end
-_ACEOF
-if ac_fn_fc_try_compile "$LINENO"; then :
- ac_cv_fc_srcext_f90=$ac_flag; break
-fi
-rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
-done
-rm -f conftest.$ac_objext conftest.f90
-ac_fcflags_srcext=$ac_fcflags_srcext_save
-
-fi
-{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_srcext_f90" >&5
-$as_echo "$ac_cv_fc_srcext_f90" >&6; }
-if test "x$ac_cv_fc_srcext_f90" = xunknown; then
- as_fn_error $? "Fortran could not compile .f90 files" "$LINENO" 5
-else
- ac_fc_srcext=f90
- if test "x$ac_cv_fc_srcext_f90" = xnone; then
- ac_fcflags_srcext=""
- FCFLAGS_f90=""
- else
- ac_fcflags_srcext=$ac_cv_fc_srcext_f90
- FCFLAGS_f90=$ac_cv_fc_srcext_f90
- fi
-
-
-fi
-ac_ext=${ac_fc_srcext-f}
-ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
-ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_fc_compiler_gnu
-
try_dflags="$try_dflags -D__FFTW3"
try_incdir="$FFTW_INCLUDE $FFTW_INC $INCLUDE_PATH $CPATH $FPATH"
orig_fflags="$FFLAGS"
@@ -6126,11 +5706,6 @@ rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext
fi
done
FFLAGS="$orig_fflags"
- ac_ext=f
-ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
-ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_f77_compiler_gnu
-
break
fi
@@ -6308,10 +5883,10 @@ else
as_fn_error $? "Could not find required libxc library." "$LINENO" 5
fi
-ac_ext=f
-ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
-ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_f77_compiler_gnu
+ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
fi
@@ -6366,7 +5941,7 @@ for ac_lib in '' massvp4 massv; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lmass $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_vexp=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6434,7 +6009,7 @@ for ac_lib in '' massv; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lmass_simd $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_vexp=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6502,7 +6077,7 @@ for ac_lib in '' massvp4_64; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib -lmass_64 $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_vexp=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6605,7 +6180,7 @@ for ac_lib in '' mpi; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_mpi_init=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6696,7 +6271,6 @@ for dummy in x # to allow simple 'break'
do
test "$have_mpi" -eq 0 && break
- F77=$mpif90
LIBS="$mpi_libs"
# look for scalapack if required
@@ -6721,7 +6295,7 @@ for ac_lib in '' "" ; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_pdgemr2d=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6776,7 +6350,7 @@ for ac_lib in '' "mkl_scalapack_lp64" ; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib "$scalapack_libs" $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_pdgemr2d=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6828,7 +6402,7 @@ for ac_lib in '' "" ; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_pdgemr2d=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6878,7 +6452,7 @@ for ac_lib in '' "" ; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_pdgemr2d=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6929,7 +6503,7 @@ for ac_lib in '' "" ; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_pdgemr2d=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -6982,7 +6556,7 @@ for ac_lib in '' "" ; do
ac_res=-l$ac_lib
LIBS="-l$ac_lib $ac_func_search_save_LIBS"
fi
- if ac_fn_f77_try_link "$LINENO"; then :
+ if ac_fn_fc_try_link "$LINENO"; then :
ac_cv_search_pdgemr2d=$ac_res
fi
rm -f core conftest.err conftest.$ac_objext \
@@ -7016,16 +6590,24 @@ fi
done
# Enable QRCP with scalapack if --with-scalapack-qrcp==yes is set.
-# Requires Scalapack >= 2.1.0 or MKL >= 2020, but the version is not checked.
-# If an old version is used, QRCP results might be buggy.
-if test "${with_scalapack_qrcp+set}" = set; then :
- withval=$with_scalapack_qrcp
- if test "$withval" = "yes" && test "$have_scalapack" -eq 1; then
- try_dflags="$try_dflags -D__SCALAPACK_QRCP"
- fi
+
+# Check whether --with-scalapack was given.
+if test "${with_scalapack+set}" = set; then :
+ withval=$with_scalapack; if test "$withval" = "yes" ; then
+ with_scalapack_qrcp=1
+ else
+ with_scalapack_qrcp=0
+ fi
+else
+ with_scalapack_qrcp=0
+
fi
+if test "$have_scalapack" -eq 1 && test "$with_scalapack_qrcp" -eq 1; then
+ try_dflags="$try_dflags -D__SCALAPACK_QRCP"
+fi
+
# Configuring output message
if test "$have_scalapack" -eq 1; then
scalapack_line="SCALAPACK_LIBS=$scalapack_libs"
@@ -7310,10 +6892,10 @@ ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
ac_compiler_gnu=$ac_cv_c_compiler_gnu
- ac_ext=f
-ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
-ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_f77_compiler_gnu
+ ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
if test "$have_hdf5" -eq 1 ; then
@@ -7553,10 +7135,10 @@ ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
ac_compiler_gnu=$ac_cv_c_compiler_gnu
- ac_ext=f
-ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5'
-ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
-ac_compiler_gnu=$ac_cv_f77_compiler_gnu
+ ac_ext=${ac_fc_srcext-f}
+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5'
+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_fc_compiler_gnu
if test "$have_hdf5" -eq 1 ; then
diff --git a/install/configure.ac b/install/configure.ac
index 3e66318ac..c4807269b 100644
--- a/install/configure.ac
+++ b/install/configure.ac
@@ -35,6 +35,9 @@ X_AC_QE_AR()
# Checking OpenMP...
X_AC_QE_OPENMP()
+AC_LANG_PUSH(Fortran)
+AC_FC_SRCEXT(f90)
+
# Checking MPIF90...
X_AC_QE_MPIF90()
@@ -56,8 +59,6 @@ X_AC_QE_CUDA()
# Checking F90 rule...
X_AC_QE_F90RULE()
-AC_LANG_PUSH(Fortran 77)
-F77=$f90 # use Fortran 90 actually
FFLAGS="$test_fflags"
LDFLAGS="$test_ldflags"
diff --git a/install/m4/x_ac_qe_cuda.m4 b/install/m4/x_ac_qe_cuda.m4
index a22f5cf53..576793e6a 100644
--- a/install/m4/x_ac_qe_cuda.m4
+++ b/install/m4/x_ac_qe_cuda.m4
@@ -81,10 +81,7 @@ then
# -----------------------------------------
# Check compiler
# -----------------------------------------
- AC_LANG_PUSH([Fortran])
- AC_FC_SRCEXT([f90])
AX_CHECK_COMPILE_FLAG([$mMcuda=cuda$with_cuda_runtime], [have_cudafor=yes], [have_cudafor=no], [], [MODULE test; use cudafor; END MODULE])
- AC_LANG_POP([Fortran])
if test "x$have_cudafor" != "xyes"
then
AC_MSG_ERROR([You do not have the cudafor module. Are you using NVHPC compiler?])
diff --git a/install/m4/x_ac_qe_fft.m4 b/install/m4/x_ac_qe_fft.m4
index 9cab22e9e..ca96781bc 100644
--- a/install/m4/x_ac_qe_fft.m4
+++ b/install/m4/x_ac_qe_fft.m4
@@ -148,8 +148,6 @@ if test "$fft_libs" = ""; then
if test "$have_fft" -eq 1
then
- AC_LANG_PUSH([Fortran])
- AC_FC_SRCEXT(f90)
try_dflags="$try_dflags -D__FFTW3"
try_incdir="$FFTW_INCLUDE $FFTW_INC $INCLUDE_PATH $CPATH $FPATH"
orig_fflags="$FFLAGS"
@@ -166,7 +164,6 @@ end],have_fft_include=1,)
fi
done
FFLAGS="$orig_fflags"
- AC_LANG_POP([Fortran])
break
fi
diff --git a/install/m4/x_ac_qe_hdf5.m4 b/install/m4/x_ac_qe_hdf5.m4
index b10383a20..8fd8e36a5 100644
--- a/install/m4/x_ac_qe_hdf5.m4
+++ b/install/m4/x_ac_qe_hdf5.m4
@@ -59,7 +59,7 @@ if test "$use_parallel" -ne 0; then
else
# Test if it is really installed where it has been specified
- AC_LANG_POP(Fortran 77)
+ AC_LANG_POP(Fortran)
AC_LANG_PUSH(C)
if test -e $with_hdf5_path/bin/h5pcc; then
@@ -100,7 +100,7 @@ if test "$use_parallel" -ne 0; then
done
AC_LANG_POP(C)
- AC_LANG_PUSH(Fortran 77)
+ AC_LANG_PUSH(Fortran)
if test "$have_hdf5" -eq 1 ; then
if test "$with_hdf5_include" -eq 1 ; then
@@ -184,7 +184,7 @@ else
else
# Test if it is really installed where it has been specified
- AC_LANG_POP(Fortran 77)
+ AC_LANG_POP(Fortran)
AC_LANG_PUSH(C)
if test -e $with_hdf5_path/bin/h5cc ; then
@@ -219,7 +219,7 @@ else
done
AC_LANG_POP(C)
- AC_LANG_PUSH(Fortran 77)
+ AC_LANG_PUSH(Fortran)
if test "$have_hdf5" -eq 1 ; then
AC_CHECK_FILE($with_hdf5_path/include/hdf5.mod,,[
diff --git a/install/m4/x_ac_qe_mpif90.m4 b/install/m4/x_ac_qe_mpif90.m4
index 1369374bb..f3afc95ea 100644
--- a/install/m4/x_ac_qe_mpif90.m4
+++ b/install/m4/x_ac_qe_mpif90.m4
@@ -221,8 +221,6 @@ ftn )
;;
esac
-AC_FC_SRCEXT(f90)
-
echo setting F90... $f90
echo setting MPIF90... $mpif90
diff --git a/install/m4/x_ac_qe_scalapack.m4 b/install/m4/x_ac_qe_scalapack.m4
index 5f9adf6cb..83bb0770d 100644
--- a/install/m4/x_ac_qe_scalapack.m4
+++ b/install/m4/x_ac_qe_scalapack.m4
@@ -21,7 +21,6 @@ for dummy in x # to allow simple 'break'
do
test "$have_mpi" -eq 0 && break
- F77=$mpif90
LIBS="$mpi_libs"
# look for scalapack if required
From 93441f511accaf8a5929460d7e032cc2b1cc32ce Mon Sep 17 00:00:00 2001
From: Paolo Giannozzi
Date: Sun, 3 Jul 2022 21:45:01 +0200
Subject: [PATCH 2/2] [skip-CI] small updates
---
PHonon/Doc/user_guide.tex | 12 ++++++------
install/configure | 3 +--
2 files changed, 7 insertions(+), 8 deletions(-)
diff --git a/PHonon/Doc/user_guide.tex b/PHonon/Doc/user_guide.tex
index 622fce8d6..cd8a43dfd 100644
--- a/PHonon/Doc/user_guide.tex
+++ b/PHonon/Doc/user_guide.tex
@@ -87,15 +87,15 @@ potential. Weicheng Bao (Nanjing University) and Norge Cruz Hernandez
\section{Installation}
-\PHonon\ is a package tightly bound to \qe.
+\PHonon\ is a \qe\ package and it is tightly bound to \qe.
For instruction on how to download and compile \qe, please refer
to the general Users' Guide, available in file \texttt{Doc/user\_guide.pdf}
under the main \qe\ directory, or in web site
\texttt{http://www.quantum-espresso.org}.
-Once \qe\ is correctly configured, \PHonon\ can be automatically
-downloaded, unpacked and compiled by
-just typing \texttt{make ph}, from the main \qe\ directory.
+Once \qe\ is correctly configured, \PHonon\ is compiled by
+just typing \texttt{make ph}, from the main \qe\ directory;
+or, if you use CMake, by just typing \texttt{make}.
\subsection{Structure of the \PHonon\ package}
@@ -182,8 +182,8 @@ In the following, we will indicate by ${\bf q}$ the phonon wavevectors,
while ${\bf k}$ will indicate Bloch vectors used for summing over the
Brillouin Zone.
-The main code \phx\ can be used whenever \PWscf\ can be used,
-with the exceptions of DFT+U, hybrid functionals, external electric fields,
+The main code \phx\ can be used whenever \PWscf\ can be used, with the
+exceptions of hybrid and meta-GGA functionals, external electric fields,
constraints on magnetization, nonperiodic boundary conditions.
USPP and PAW are not implemented for higher-order response calculations.
See the header of file \texttt{PHonon/PH/phonon.f90} for a complete and
diff --git a/install/configure b/install/configure
index 3437e4544..2ad2c5ac6 100755
--- a/install/configure
+++ b/install/configure
@@ -5918,8 +5918,7 @@ fi
foxlibs=""
else
extfox="libfox"
- foxlibs="-L\$(TOPDIR)/FoX/lib -lFoX_dom -lFoX_sax -lFoX_wxml \
- -lFoX_common -lFoX_utils -lFoX_fsys "
+ foxlibs="-L\$(TOPDIR)/FoX/lib -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys "
try_iflags="$try_iflags -I\$(TOPDIR)/FoX/finclude "
fi