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quantum-espresso: update patch for AOCC support (#25144)

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Co-authored-by: mohan002 <mohbabul@amd.com>
This commit is contained in:
AMD Toolchain Support 2021-07-30 14:37:57 +05:30 committed by GitHub
parent 54e8e19a60
commit bbfaf4e816
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GPG key ID: 4AEE18F83AFDEB23
1 changed files with 60 additions and 46 deletions
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106
var/spack/repos/builtin/packages/quantum-espresso/configure_aocc.patch
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@ -1,58 +1,72 @@
--- spack-src/install/configure.orig 2021-02-11 13:56:58.900212951 +0530
+++ spack-src/install/configure 2021-02-11 15:19:54.726403962 +0530
@@ -3203,6 +3203,7 @@
diff --git a/install/configure b/install/configure_aocc
index 66337d1..d2c04af 100755
--- a/install/configure
+++ b/install/configure_aocc
@@ -3203,6 +3203,7 @@ case "$arch" in
nagfor_version=`$mpif90 -v 2>&1 | grep "NAG Fortran"`
xlf_version=`$mpif90 -v 2>&1 | grep "xlf"`
armflang_version=`$mpif90 -v 2>&1 | grep "Arm C/C++/Fortran Compiler version"`
+ aoccflang_version=`$mpif90 -v 2>&1 | grep "AMD clang version"`
+ aoccflang_version=`$mpif90 -v 2>&1 | grep "AMD clang version"`
#
if test "$ifort_version" != ""
then
@@ -3227,6 +3228,12 @@
f90_minor_version=`echo $version | cut -d. -f2`
echo "${ECHO_T}gfortran $f90_major_version.$f90_minor_version"
f90_in_mpif90="gfortran"
+ elif test "$aoccflang_version" != ""
+ then
+ version=`echo $aoccflang_version | cut -d" " -f 5`
+ echo "${ECHO_T}mpif90 $version"
+ f90_in_mpif90="mpif90"
+ try_foxflags="-D__PGI"
elif test "$nagfor_version" != ""
@@ -3215,6 +3216,12 @@ case "$arch" in
version=`echo $nvfortran_version | cut -d ' ' -f2`
echo "${ECHO_T}nvfortran $version"
f90_in_mpif90="nvfortran"
+ elif test "$aoccflang_version" != ""
+ then
+ version=`echo $aoccflang_version | cut -d" " -f 5`
+ echo "${ECHO_T}mpif90 $version"
+ f90_in_mpif90="mpif90"
+ try_foxflags="-D__PGI"
elif test "$pgf_version" != ""
then
# NAG 6.0 has the codename attached to version number... annoying
@@ -3327,6 +3334,8 @@
f90_flavor=ifort
elif $f90 -V 2>&1 | grep -q "^pgf" ; then
f90_flavor=pgf
+ elif $f90 -v 2>&1 | grep -q "AMD clang version" ; then
+ f90_flavor=mpif90
elif $f90 -v 2>&1 | grep -q "gcc version" ; then
f90_flavor=gfortran
elif $f90 -V 2>&1 | grep -q "Cray Fortran" ; then
@@ -3385,6 +3394,9 @@
*:pgf90 )
try_cc="pgcc $try_cc"
version=`echo $pgf_version | cut -d ' ' -f2`
@@ -3397,6 +3404,9 @@ ppc64-bg*:*xlf90_r )
ppc64-bg*:*xlf90 )
try_cc="bgxlc"
;;
+*:mpif90 )
+ try_cc="mpicc $try_cc"
+ ;;
cray*:* )
try_cc="cc"
+ try_cc="mpicc $try_cc"
+ ;;
ppc64:*xlf* | ppc64le:*xlf* )
try_cc="xlc_r $try_cc"
;;
@@ -4017,6 +4029,15 @@
try_dflags="$try_dflags -D__PGI"
have_cpp=1
@@ -3779,6 +3789,10 @@ necsx:* )
ppc64le:* )
try_cflags="-O3"
;;
+x86_64:* )
+ try_cflags="-Ofast -Mstack_arrays"
+ try_dflags="-D__OPENMP"
+ ;;
ppc64-bg:* )
try_cflags="-O3 -q32"
;;
@@ -3915,6 +3929,16 @@ crayxt*:cray* )
try_dflags="$try_dflags -D__CRAY"
have_cpp=0
;;
+*:*mpif90 )
+ try_fflags="-O3 -g"
+ try_fflags_openmp="-fopenmp"
+ try_f90flags="\$(FFLAGS) -cpp"
+ try_fflags_noopt="-O0 -g"
+ try_ldflags="-g"
+ try_ldflags_openmp="-pthread -fopenmp"
+ try_ldflags_static="-static"
+ ;;
*:*gfortran )
try_fflags="-O3 -g"
if test "$f90_major_version" -ge "10"; then
+ try_fflags="-Ofast -Mstack_arrays"
+ try_fflags_openmp="-fopenmp"
+ try_f90flags=" \$(FFLAGS) -cpp -Ofast -Mpreprocess -Mstack_arrays"
+ try_foxflags="-D__PGI"
+ try_fflags_noopt="-O0"
+ try_ldflags=""
+ try_ldflags_openmp="-fopenmp"
+ try_ldflags_static="-static"
+ ;;
crayxt*:pgf* )
# see comment above for pgf*
try_fflags_nomain="-Mnomain"
@@ -7815,7 +7839,7 @@ $as_echo "$as_me: WARNING: *** HDF5 version must be 1.8.16 or later" >&2;};
if test $with_hdf5_libs -eq 1; then
hdf5_libs=$with_hdf5_libline
else
- hdf5_libs=`$with_hdf5_path/bin/h5pfc -show | awk -F'-L' '{$1=""; for (i=2; i<=NF;i++) $i="-L"$i; print $0}'`
+ hdf5_libs=`$with_hdf5_path/bin/h5pfc -show | awk -F'-L' '{$1=""; for (i=2; i<=NF;i++) $i="-L"$i; print $0}' | xargs`
fi
elif command -v h5pfc >/dev/null; then
if test $with_hdf5_libs -eq 1; then