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authorm-shunji <76516098+m-shunji@users.noreply.github.com>2021-03-10 17:58:38 +0900
committerGitHub <noreply@github.com>2021-03-10 09:58:38 +0100
commit55c1e76408fb9609e339b3f601fcf7e03564fa6a (patch)
tree2edbcff61d663eccfbaa0b9bf2135a2e5eb7ae9e
parent1492461b8e4920d09c9f67af204cc90b24edce47 (diff)
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abinit: updated patch for Fujitsu compilers (#22009)
-rw-r--r--var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch85
-rw-r--r--var/spack/repos/builtin/packages/abinit/package.py5
2 files changed, 52 insertions, 38 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 df9e6b4e17..3df7dc6a27 100644
--- a/var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch
+++ b/var/spack/repos/builtin/packages/abinit/fix_for_fujitsu.patch
@@ -1,6 +1,17 @@
-diff -uprN src/43_wvl_wrappers/m_abi2big.F90 src/43_wvl_wrappers/m_abi2big.F90
---- src/43_wvl_wrappers/m_abi2big.F90 2019-01-17 20:49:35.000000000 +0900
-+++ src/43_wvl_wrappers/m_abi2big.F90 2019-05-21 15:05:23.000000000 +0900
+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}: $
+ # gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH,
+ # LIBRARY_PATH; skip all such settings.
+ ac_fc_v_output=`eval $ac_link 5>&1 2>&1 |
++ sed -r "s/(\-L)(\/[^ ]+)+(\/bin\/\.\.\/lib64\/nofjobj)//g" |
+ sed '/^Driving:/d; /^Configured with:/d;
+ '"/^[_$as_cr_Letters][_$as_cr_alnum]*=/d"`
+ $as_echo "$ac_fc_v_output" >&5
+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
@@ -1333,10 +1333,10 @@ subroutine wvl_setngfft(me_wvl, mgfft, n
!Arguments ------------------------------------
@@ -14,9 +25,9 @@ diff -uprN src/43_wvl_wrappers/m_abi2big.F90 src/43_wvl_wrappers/m_abi2big.F90
!Local variables-------------------------------
!scalars
-diff -uprN src/43_wvl_wrappers/m_wvl_denspot.F90 src/43_wvl_wrappers/m_wvl_denspot.F90
---- src/43_wvl_wrappers/m_wvl_denspot.F90 2019-01-17 20:49:32.000000000 +0900
-+++ src/43_wvl_wrappers/m_wvl_denspot.F90 2019-05-21 15:06:21.000000000 +0900
+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
@@ -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
@@ -26,9 +37,9 @@ diff -uprN src/43_wvl_wrappers/m_wvl_denspot.F90 src/43_wvl_wrappers/m_wvl_densp
type(wvl_internal_type),intent(in) :: wvl
type(pseudopotential_gth_type),intent(in)::gth_params
-diff -uprN src/43_wvl_wrappers/m_wvl_wfs.F90 src/43_wvl_wrappers/m_wvl_wfs.F90
---- src/43_wvl_wrappers/m_wvl_wfs.F90 2019-01-17 20:49:33.000000000 +0900
-+++ src/43_wvl_wrappers/m_wvl_wfs.F90 2019-05-21 15:07:08.000000000 +0900
+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
@@ -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
@@ -38,9 +49,9 @@ diff -uprN src/43_wvl_wrappers/m_wvl_wfs.F90 src/43_wvl_wrappers/m_wvl_wfs.F90
type(wvl_internal_type), intent(in) :: wvl
!arrays
real(dp), intent(in) :: kpt(3,nkpt)
-diff -uprN src/52_fft_mpi_noabirule/m_fftw3.F90 src/52_fft_mpi_noabirule/m_fftw3.F90
---- src/52_fft_mpi_noabirule/m_fftw3.F90 2019-01-17 20:49:35.000000000 +0900
-+++ src/52_fft_mpi_noabirule/m_fftw3.F90 2019-05-21 15:14:52.000000000 +0900
+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
@@ -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
@@ -95,9 +106,9 @@ diff -uprN src/52_fft_mpi_noabirule/m_fftw3.F90 src/52_fft_mpi_noabirule/m_fftw3
!Local variables-------------------------------
!scalars
-diff -uprN src/62_poisson/m_psolver.F90 src/62_poisson/m_psolver.F90
---- src/62_poisson/m_psolver.F90 2019-01-17 20:49:26.000000000 +0900
-+++ src/62_poisson/m_psolver.F90 2019-05-21 15:09:11.000000000 +0900
+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
@@ -118,7 +118,7 @@ subroutine psolver_rhohxc(enhartr, enxc,
integer,intent(in) :: usexcnhat,usepaw,xclevel
real(dp),intent(in) :: rprimd(3,3)
@@ -133,9 +144,9 @@ diff -uprN src/62_poisson/m_psolver.F90 src/62_poisson/m_psolver.F90
!Local variables-------------------------------
#if defined HAVE_BIGDFT
-diff -uprN src/62_wvl_wfs/m_wvl_psi.F90 src/62_wvl_wfs/m_wvl_psi.F90
---- src/62_wvl_wfs/m_wvl_psi.F90 2019-01-17 20:49:14.000000000 +0900
-+++ src/62_wvl_wfs/m_wvl_psi.F90 2019-05-21 15:10:51.000000000 +0900
+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
@@ -248,16 +248,16 @@ subroutine wvl_psitohpsi(alphamix,eexctX
!scalars
integer, intent(in) :: me, nproc, itrp, iter, iscf, natom, nfft, nspden
@@ -166,21 +177,9 @@ diff -uprN src/62_wvl_wfs/m_wvl_psi.F90 src/62_wvl_wfs/m_wvl_psi.F90
type(MPI_type),intent(in) :: mpi_enreg
type(dataset_type),intent(in) :: dtset
type(energies_type),intent(inout) :: energies
-diff -uprN src/67_common/m_mklocl_realspace.F90 src/67_common/m_mklocl_realspace.F90
---- src/67_common/m_mklocl_realspace.F90 2019-01-17 20:49:35.000000000 +0900
-+++ src/67_common/m_mklocl_realspace.F90 2019-05-21 15:12:07.000000000 +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 src/67_common/mkcore_wvl.F90 src/67_common/mkcore_wvl.F90
---- src/67_common/mkcore_wvl.F90 2019-01-17 20:49:30.000000000 +0900
-+++ src/67_common/mkcore_wvl.F90 2019-05-21 15:13:04.000000000 +0900
+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
@@ -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)
@@ -200,10 +199,22 @@ diff -uprN src/67_common/mkcore_wvl.F90 src/67_common/mkcore_wvl.F90
+ real(dp),intent(inout) :: corstr(6),dyfrx2(3,3,natom),grxc(3,natom)
type(pawtab_type),intent(in) :: pawtab(ntypat)
type(pawrad_type),intent(in) :: pawrad(ntypat)
-
-diff -uprN src/98_main/abinit.F90 src/98_main/abinit.F90
---- src/98_main/abinit.F90 2019-01-17 20:49:35.000000000 +0900
-+++ src/98_main/abinit.F90 2019-08-07 08:29:17.000000000 +0900
+
+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
@@ -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 d62ebe3bbd..3500798a38 100644
--- a/var/spack/repos/builtin/packages/abinit/package.py
+++ b/var/spack/repos/builtin/packages/abinit/package.py
@@ -95,7 +95,10 @@ class Abinit(AutotoolsPackage):
# conflicts('+elpa', when='+scalapack')
patch('rm_march_settings.patch')
- patch('fix_for_fujitsu.patch', level=0, when='%fj')
+
+ # 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')
def configure_args(self):