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authorm-shunji <76516098+m-shunji@users.noreply.github.com>2021-03-19 21:27:31 +0900
committerGitHub <noreply@github.com>2021-03-19 12:27:31 +0000
commit020c60649ec170dc66a22978f27b94e8fadd9ae2 (patch)
tree4c031599f81f29b99b0ad9aea9fda2ce4cb821a0 /var
parent43f4d2da9997a17e4c523078a0b0335350dd739a (diff)
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abinit: fix detection of Fujitsu compiler (#22239)
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch188
-rw-r--r--var/spack/repos/builtin/packages/abinit/package.py1
2 files changed, 158 insertions, 31 deletions
diff --git a/var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch b/var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch
index 3df7dc6a27..bc179c7cd2 100644
--- a/var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch
+++ b/var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch
@@ -1,7 +1,38 @@
diff -uprN spack-src.org/configure spack-src/configure
---- spack-src.org/configure 2019-01-17 20:37:58.000000000 +0900
-+++ spack-src/configure 2021-02-26 09:01:06.656123015 +0900
-@@ -14655,6 +14655,7 @@ $as_echo "$as_me:${as_lineno-$LINENO}: $
+--- spack-src.org/configure 2021-03-11 13:52:52.000000000 +0900
++++ spack-src/configure 2021-03-11 14:14:36.000000000 +0900
+@@ -14183,7 +14183,10 @@ $as_echo "#define FC_OPEN64 1" >>confdef
+
+
+ fc_info_string=`${FC} -V 2>/dev/null | head -n 1`
+- abi_result=`echo "${fc_info_string}" | grep '^Fujitsu Fortran'`
++ if test "${fc_info_string}" = ""; then
++ fc_info_string=`${FC} -V 2>&1 | head -n 1`
++ fi
++ abi_result=`echo "${fc_info_string}" | grep 'Fujitsu Fortran'`
+ if test "${abi_result}" = ""; then
+ abi_result="no"
+ fc_info_string=""
+@@ -14194,9 +14197,17 @@ $as_echo "#define FC_OPEN64 1" >>confdef
+ $as_echo "#define FC_FUJITSU 1" >>confdefs.h
+
+ abi_fc_vendor="fujitsu"
+- abi_fc_version=`echo "${abi_result}" | sed -e 's/.*Driver //;s/ .*//'`
++ abi_fc_version=`echo "${abi_result}" | sed -e 's/.*Driver //'`
+ if test "${abi_fc_version}" = "${abi_result}"; then
+ abi_fc_version="unknown"
++ else
++ abi_fc_version=`echo "${abi_result}" | sed -e 's/.*Driver //;s/ .*//'`
++ fi
++ if test "${abi_fc_version}" = "unknown"; then
++ abi_fc_version=`echo "${abi_result}" | sed -e 's/.*Compiler //;s/ .*//'`
++ if test "${abi_fc_version}" = "${abi_result}"; then
++ abi_fc_version="unknown"
++ fi
+ fi
+ abi_result="yes"
+ fi
+@@ -14655,6 +14666,7 @@ $as_echo "$as_me:${as_lineno-$LINENO}: $
# gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH,
# LIBRARY_PATH; skip all such settings.
ac_fc_v_output=`eval $ac_link 5>&1 2>&1 |
@@ -9,9 +40,104 @@ diff -uprN spack-src.org/configure spack-src/configure
sed '/^Driving:/d; /^Configured with:/d;
'"/^[_$as_cr_Letters][_$as_cr_alnum]*=/d"`
$as_echo "$ac_fc_v_output" >&5
+@@ -16392,15 +16404,29 @@ $as_echo_n "checking which fc hints to a
+ ;;
+ fujitsu)
+ abi_fc_vendor_hnt="fujitsu"
+- abi_fc_version_hnt="default"
+ abi_sys_spec_hnt="default"
+- FCFLAGS_FIXEDFORM='-Fixed -X7'
+- FCFLAGS_FREEFORM='-Free -X9'
+- FCFLAGS_MODDIR='-M $(abinit_moddir)'
+- FCFLAGS_HINTS='-Am -Ee -Ep'
+- abi_fc_wrap='yes'
+- FCFLAGS_OPENMP='--openmp'
+- FCFLAGS_PIC='-K PIC'
++ case "${abi_fc_version}" in
++ 4.[0-9]*)
++ abi_fc_version_hnt="4.x"
++ FCFLAGS_FIXEDFORM='-Fixed -X7'
++ FCFLAGS_FREEFORM='-Free -X9'
++ FCFLAGS_MODDIR='-M $(abinit_moddir)'
++ FCFLAGS_HINTS=''
++ abi_fc_wrap='no'
++ FCFLAGS_OPENMP='-Kopenmp'
++ FCFLAGS_PIC='-K PIC'
++ ;;
++ *)
++ abi_fc_version_hnt="default"
++ FCFLAGS_FIXEDFORM='-Fixed -X7'
++ FCFLAGS_FREEFORM='-Free -X9'
++ FCFLAGS_MODDIR='-M $(abinit_moddir)'
++ FCFLAGS_HINTS='-Am -Ee -Ep'
++ abi_fc_wrap='yes'
++ FCFLAGS_OPENMP='--openmp'
++ FCFLAGS_PIC='-K PIC'
++ ;;
++ esac # [case: abi_fc_version, indent: 2, item: True]
+ ;;
+ pathscale)
+ abi_fc_vendor_hnt="pathscale"
+@@ -18085,22 +18111,43 @@ $as_echo_n "checking which fc optimizati
+ ;;
+ fujitsu)
+ abi_fc_vendor_opt="fujitsu"
+- abi_fc_version_opt="default"
+ abi_cpu_spec_opt="default"
+- case "${enable_optim}" in
+- aggressive)
+- enable_optim_opt="aggressive"
+- FCFLAGS_OPTIM="-Of -X9 -Ps -Wv,-md"
+- ;;
+- safe)
+- enable_optim_opt="safe"
+- FCFLAGS_OPTIM="-Of -X9 -Ps -Wv,-md"
++ case "${abi_fc_version}" in
++ 4.[0-9]*)
++ abi_fc_version_opt="4.x"
++ case "${enable_optim}" in
++ aggressive)
++ enable_optim_opt="aggressive"
++ FCFLAGS_OPTIM="-Kfast -Koptmsg=2 -Nlst=t"
++ ;;
++ safe)
++ enable_optim_opt="safe"
++ FCFLAGS_OPTIM="-O2 -Koptmsg=2 -Nlst=t"
++ ;;
++ standard)
++ enable_optim_opt="standard"
++ FCFLAGS_OPTIM="-O2 -Koptmsg=2 -Nlst=t"
++ ;;
++ esac # [case: enable_optim, indent: 4, item: True]
+ ;;
+- standard)
+- enable_optim_opt="standard"
+- FCFLAGS_OPTIM="-Of -X9 -Ps -Wv,-md"
++ *)
++ abi_fc_version_opt="default"
++ case "${enable_optim}" in
++ aggressive)
++ enable_optim_opt="aggressive"
++ FCFLAGS_OPTIM="-Of -X9 -Ps -Wv,-md"
++ ;;
++ safe)
++ enable_optim_opt="safe"
++ FCFLAGS_OPTIM="-Of -X9 -Ps -Wv,-md"
++ ;;
++ standard)
++ enable_optim_opt="standard"
++ FCFLAGS_OPTIM="-Of -X9 -Ps -Wv,-md"
++ ;;
++ esac # [case: enable_optim, indent: 4, item: True]
+ ;;
+- esac # [case: enable_optim, indent: 2, item: True]
++ esac # [case: abi_fc_version, indent: 2, item: True]
+ ;;
+ pathscale)
+ abi_fc_vendor_opt="pathscale"
diff -uprN spack-src.org/src/43_wvl_wrappers/m_abi2big.F90 spack-src/src/43_wvl_wrappers/m_abi2big.F90
---- spack-src.org/src/43_wvl_wrappers/m_abi2big.F90 2019-01-17 20:49:35.000000000 +0900
-+++ spack-src/src/43_wvl_wrappers/m_abi2big.F90 2021-02-26 09:01:06.657122997 +0900
+--- spack-src.org/src/43_wvl_wrappers/m_abi2big.F90 2021-03-11 13:52:54.000000000 +0900
++++ spack-src/src/43_wvl_wrappers/m_abi2big.F90 2021-03-11 14:06:53.000000000 +0900
@@ -1333,10 +1333,10 @@ subroutine wvl_setngfft(me_wvl, mgfft, n
!Arguments ------------------------------------
@@ -26,8 +152,8 @@ diff -uprN spack-src.org/src/43_wvl_wrappers/m_abi2big.F90 spack-src/src/43_wvl_
!Local variables-------------------------------
!scalars
diff -uprN spack-src.org/src/43_wvl_wrappers/m_wvl_denspot.F90 spack-src/src/43_wvl_wrappers/m_wvl_denspot.F90
---- spack-src.org/src/43_wvl_wrappers/m_wvl_denspot.F90 2019-01-17 20:49:32.000000000 +0900
-+++ spack-src/src/43_wvl_wrappers/m_wvl_denspot.F90 2021-02-26 09:01:06.657122997 +0900
+--- spack-src.org/src/43_wvl_wrappers/m_wvl_denspot.F90 2021-03-11 13:52:54.000000000 +0900
++++ spack-src/src/43_wvl_wrappers/m_wvl_denspot.F90 2021-03-11 14:06:53.000000000 +0900
@@ -96,7 +96,7 @@ subroutine wvl_denspot_set(den,gth_param
real(dp), intent(in) :: rprimd(3, 3)
real(dp), intent(in) :: wvl_frmult,wvl_crmult
@@ -38,8 +164,8 @@ diff -uprN spack-src.org/src/43_wvl_wrappers/m_wvl_denspot.F90 spack-src/src/43_
type(pseudopotential_gth_type),intent(in)::gth_params
diff -uprN spack-src.org/src/43_wvl_wrappers/m_wvl_wfs.F90 spack-src/src/43_wvl_wrappers/m_wvl_wfs.F90
---- spack-src.org/src/43_wvl_wrappers/m_wvl_wfs.F90 2019-01-17 20:49:33.000000000 +0900
-+++ spack-src/src/43_wvl_wrappers/m_wvl_wfs.F90 2021-02-26 09:01:06.657122997 +0900
+--- spack-src.org/src/43_wvl_wrappers/m_wvl_wfs.F90 2021-03-11 13:52:54.000000000 +0900
++++ spack-src/src/43_wvl_wrappers/m_wvl_wfs.F90 2021-03-11 14:06:53.000000000 +0900
@@ -103,7 +103,7 @@ subroutine wvl_wfs_set(alphadiis, spinma
integer, intent(in) :: natom, nkpt, nsppol, nspinor, nband, nwfshist,me,nproc
real(dp), intent(in) :: spinmagntarget, wvl_crmult, wvl_frmult, alphadiis
@@ -50,8 +176,8 @@ diff -uprN spack-src.org/src/43_wvl_wrappers/m_wvl_wfs.F90 spack-src/src/43_wvl_
!arrays
real(dp), intent(in) :: kpt(3,nkpt)
diff -uprN spack-src.org/src/52_fft_mpi_noabirule/m_fftw3.F90 spack-src/src/52_fft_mpi_noabirule/m_fftw3.F90
---- spack-src.org/src/52_fft_mpi_noabirule/m_fftw3.F90 2019-01-17 20:49:35.000000000 +0900
-+++ spack-src/src/52_fft_mpi_noabirule/m_fftw3.F90 2021-02-26 09:01:06.658122980 +0900
+--- spack-src.org/src/52_fft_mpi_noabirule/m_fftw3.F90 2021-03-11 13:52:52.000000000 +0900
++++ spack-src/src/52_fft_mpi_noabirule/m_fftw3.F90 2021-03-11 14:06:53.000000000 +0900
@@ -4588,7 +4588,7 @@ subroutine fftw3_mpiback_wf(cplexwf,ndat
integer,intent(in) :: cplexwf,ndat,n1,n2,n3,nd1,nd2,nd3proc
integer,intent(in) :: max1,max2,max3,m1,m2,m3,md1,md2proc,md3,comm_fft
@@ -107,8 +233,8 @@ diff -uprN spack-src.org/src/52_fft_mpi_noabirule/m_fftw3.F90 spack-src/src/52_f
!Local variables-------------------------------
!scalars
diff -uprN spack-src.org/src/62_poisson/m_psolver.F90 spack-src/src/62_poisson/m_psolver.F90
---- spack-src.org/src/62_poisson/m_psolver.F90 2019-01-17 20:49:26.000000000 +0900
-+++ spack-src/src/62_poisson/m_psolver.F90 2021-02-26 09:01:06.659122963 +0900
+--- spack-src.org/src/62_poisson/m_psolver.F90 2021-03-11 13:52:55.000000000 +0900
++++ spack-src/src/62_poisson/m_psolver.F90 2021-03-11 14:06:53.000000000 +0900
@@ -118,7 +118,7 @@ subroutine psolver_rhohxc(enhartr, enxc,
integer,intent(in) :: usexcnhat,usepaw,xclevel
real(dp),intent(in) :: rprimd(3,3)
@@ -145,8 +271,8 @@ diff -uprN spack-src.org/src/62_poisson/m_psolver.F90 spack-src/src/62_poisson/m
!Local variables-------------------------------
#if defined HAVE_BIGDFT
diff -uprN spack-src.org/src/62_wvl_wfs/m_wvl_psi.F90 spack-src/src/62_wvl_wfs/m_wvl_psi.F90
---- spack-src.org/src/62_wvl_wfs/m_wvl_psi.F90 2019-01-17 20:49:14.000000000 +0900
-+++ spack-src/src/62_wvl_wfs/m_wvl_psi.F90 2021-02-26 09:01:06.659122963 +0900
+--- spack-src.org/src/62_wvl_wfs/m_wvl_psi.F90 2021-03-11 13:52:54.000000000 +0900
++++ spack-src/src/62_wvl_wfs/m_wvl_psi.F90 2021-03-11 14:06:53.000000000 +0900
@@ -248,16 +248,16 @@ subroutine wvl_psitohpsi(alphamix,eexctX
!scalars
integer, intent(in) :: me, nproc, itrp, iter, iscf, natom, nfft, nspden
@@ -177,9 +303,21 @@ diff -uprN spack-src.org/src/62_wvl_wfs/m_wvl_psi.F90 spack-src/src/62_wvl_wfs/m
type(MPI_type),intent(in) :: mpi_enreg
type(dataset_type),intent(in) :: dtset
type(energies_type),intent(inout) :: energies
+diff -uprN spack-src.org/src/67_common/m_mklocl_realspace.F90 spack-src/src/67_common/m_mklocl_realspace.F90
+--- spack-src.org/src/67_common/m_mklocl_realspace.F90 2021-03-11 13:52:53.000000000 +0900
++++ spack-src/src/67_common/m_mklocl_realspace.F90 2021-03-11 14:06:53.000000000 +0900
+@@ -1703,7 +1703,7 @@ subroutine local_forces_wvl(iproc,natom,
+ !arrays
+ real(dp),intent(in) :: rxyz(3,natom)
+ real(dp),dimension(*),intent(in) :: rho,pot
+- real(dp),intent(out) :: floc(3,natom)
++ real(dp),intent(inout) :: floc(3,natom)
+
+ !Local variables -------------------------
+ #if defined HAVE_BIGDFT
diff -uprN spack-src.org/src/67_common/mkcore_wvl.F90 spack-src/src/67_common/mkcore_wvl.F90
---- spack-src.org/src/67_common/mkcore_wvl.F90 2019-01-17 20:49:30.000000000 +0900
-+++ spack-src/src/67_common/mkcore_wvl.F90 2021-02-26 09:01:06.660122945 +0900
+--- spack-src.org/src/67_common/mkcore_wvl.F90 2021-03-11 13:52:53.000000000 +0900
++++ spack-src/src/67_common/mkcore_wvl.F90 2021-03-11 14:06:53.000000000 +0900
@@ -138,7 +138,7 @@ subroutine mkcore_wvl(atindx1,corstr,grx
integer,intent(in) :: atindx1(natom),nattyp(ntypat)
real(dp),intent(in) :: rprimd(3,3),xccc1d(n1xccc,6,ntypat),xcccrc(ntypat),xred(3,natom)
@@ -200,21 +338,9 @@ diff -uprN spack-src.org/src/67_common/mkcore_wvl.F90 spack-src/src/67_common/mk
type(pawtab_type),intent(in) :: pawtab(ntypat)
type(pawrad_type),intent(in) :: pawrad(ntypat)
-diff -uprN spack-src.org/src/67_common/m_mklocl_realspace.F90 spack-src/src/67_common/m_mklocl_realspace.F90
---- spack-src.org/src/67_common/m_mklocl_realspace.F90 2019-01-17 20:49:35.000000000 +0900
-+++ spack-src/src/67_common/m_mklocl_realspace.F90 2021-02-26 09:01:06.659122963 +0900
-@@ -1703,7 +1703,7 @@ subroutine local_forces_wvl(iproc,natom,
- !arrays
- real(dp),intent(in) :: rxyz(3,natom)
- real(dp),dimension(*),intent(in) :: rho,pot
-- real(dp),intent(out) :: floc(3,natom)
-+ real(dp),intent(inout) :: floc(3,natom)
-
- !Local variables -------------------------
- #if defined HAVE_BIGDFT
diff -uprN spack-src.org/src/98_main/abinit.F90 spack-src/src/98_main/abinit.F90
---- spack-src.org/src/98_main/abinit.F90 2019-01-17 20:49:35.000000000 +0900
-+++ spack-src/src/98_main/abinit.F90 2021-02-26 09:01:06.660122945 +0900
+--- spack-src.org/src/98_main/abinit.F90 2021-03-11 13:52:55.000000000 +0900
++++ spack-src/src/98_main/abinit.F90 2021-03-11 14:06:53.000000000 +0900
@@ -261,7 +261,7 @@ program abinit
open(unit=ab_out,file=filnam(2),form='formatted',status='new', action="write", iomsg=message, iostat=ios)
#endif
diff --git a/var/spack/repos/builtin/packages/abinit/package.py b/var/spack/repos/builtin/packages/abinit/package.py
index 3500798a38..1cc464fb53 100644
--- a/var/spack/repos/builtin/packages/abinit/package.py
+++ b/var/spack/repos/builtin/packages/abinit/package.py
@@ -96,6 +96,7 @@ class Abinit(AutotoolsPackage):
patch('rm_march_settings.patch')
+ # Fix detection of Fujitsu compiler
# Fix configure not to collect the option that causes an error
# Fix intent(out) and unnecessary rewind to avoid compile error
patch('fix_for_fujitsu.patch', when='%fj')