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-rw-r--r--sci-libs/wannier90/files/wannier90-1.1-0001.patch16
-rw-r--r--sci-libs/wannier90/files/wannier90-1.1-0002.patch105
2 files changed, 121 insertions, 0 deletions
diff --git a/sci-libs/wannier90/files/wannier90-1.1-0001.patch b/sci-libs/wannier90/files/wannier90-1.1-0001.patch
new file mode 100644
index 000000000..e68c5f4fe
--- /dev/null
+++ b/sci-libs/wannier90/files/wannier90-1.1-0001.patch
@@ -0,0 +1,16 @@
+diff -urN wannier90-1.1.old/src/wannier_lib.F90 wannier90-1.1.new/src/wannier_lib.F90
+--- wannier90-1.1.old/src/wannier_lib.F90 2007-12-20 10:58:37.000000000 +0100
++++ wannier90-1.1.new/src/wannier_lib.F90 2008-04-28 17:27:19.000000000 +0200
+@@ -166,6 +166,12 @@
+ exclude_bands_loc(1:num_exclude_bands) = exclude_bands(1:num_exclude_bands)
+ end if
+
++ if (postproc_setup) then
++ call kmesh_write()
++ write(stdout,'(1x,a25,f11.3,a)') 'Time to write kmesh ',io_time(),' (sec)'
++ write(stdout,'(/a)') ' '//trim(seedname)//'.nnkp written.'
++ endif
++
+
+ call kmesh_dealloc()
+ call param_dealloc()
diff --git a/sci-libs/wannier90/files/wannier90-1.1-0002.patch b/sci-libs/wannier90/files/wannier90-1.1-0002.patch
new file mode 100644
index 000000000..391a34ca2
--- /dev/null
+++ b/sci-libs/wannier90/files/wannier90-1.1-0002.patch
@@ -0,0 +1,105 @@
+diff -urN wannier90-1.1.old/src/disentangle.F90 wannier90-1.1.new/src/disentangle.F90
+--- wannier90-1.1.old/src/disentangle.F90 2009-03-07 15:44:11.000000000 +0100
++++ wannier90-1.1.new/src/disentangle.F90 2009-03-07 15:48:05.000000000 +0100
+@@ -1784,9 +1784,9 @@
+ ! [BIG ITERATION LOOP (iter)]
+
+ if (.not.dis_converged) then
+- write(stdout,'(/5x,a)') '<<< Warning: Maximum number of disentanglement &
+- &iterations reached >>>'
+- write(stdout,'(10x,a)') '<<< Disentanglement convergence criteria not satisfied >>>'
++ write(stdout,'(/5x,a)') &
++ '<<< Warning: Maximum number of disentanglement iterations reached >>>'
++ write(stdout,'(10x,a)') '<<< Disentanglement convergence criteria not satisfied >>>'
+ endif
+
+ if (icompflag.eq.1) then
+@@ -2551,8 +2551,8 @@
+ ! [BIG ITERATION LOOP (iter)]
+
+ if (.not.dis_converged) then
+- write(stdout,'(/5x,a)') '<<< Warning: Maximum number of disentanglement &
+- &iterations reached >>>'
++ write(stdout,'(/5x,a)') &
++ '<<< Warning: Maximum number of disentanglement iterations reached >>>'
+ write(stdout,'(10x,a)') '<<< Disentanglement convergence criteria not satisfied >>>'
+ endif
+
+diff -urN wannier90-1.1.old/src/overlap.F90 wannier90-1.1.new/src/overlap.F90
+--- wannier90-1.1.old/src/overlap.F90 2009-03-07 15:44:11.000000000 +0100
++++ wannier90-1.1.new/src/overlap.F90 2009-03-07 15:48:36.000000000 +0100
+@@ -141,8 +141,8 @@
+ nn_found=.true.
+ nn=inn
+ else
+- call io_error('Error reading '//trim(seedname)//'.mmn.&
+- & More than one matching nearest neighbour found')
++ call io_error('Error reading '//trim(seedname)// &
++ '.mmn. More than one matching nearest neighbour found')
+ endif
+ endif
+ end do
+diff -urN wannier90-1.1.old/src/parameters.F90 wannier90-1.1.new/src/parameters.F90
+--- wannier90-1.1.old/src/parameters.F90 2009-03-07 15:44:11.000000000 +0100
++++ wannier90-1.1.new/src/parameters.F90 2009-03-07 15:50:46.000000000 +0100
+@@ -1054,8 +1054,9 @@
+ write(stdout,'(1x,a)') '+----------------------------------------------------------------------------+'
+ do nsp=1,num_species
+ do nat=1,atoms_species_num(nsp)
+- write(stdout,'(1x,a1,1x,a2,1x,i3,3F10.5,3x,a1,1x,3F10.5,4x,a1)') '|',atoms_symbol(nsp),nat,atoms_pos_frac(:,nat,nsp),&
+- '|',atoms_pos_cart(:,nat,nsp)*lenconfac,'|'
++ write(stdout,'(1x,a1,1x,a2,1x,i3,3F10.5,3x,a1,1x,3F10.5,4x,a1)') &
++& '|',atoms_symbol(nsp),nat,atoms_pos_frac(:,nat,nsp),&
++& '|',atoms_pos_cart(:,nat,nsp)*lenconfac,'|'
+ end do
+ end do
+ write(stdout,'(1x,a)') '*----------------------------------------------------------------------------*'
+@@ -1073,8 +1074,8 @@
+ write(stdout,'(1x,a)') '| Frac. Coord. l mr r z-axis x-axis Z/a |'
+ write(stdout,'(1x,a)') '+----------------------------------------------------------------------------+'
+ do nsp=1,num_proj
+- write(stdout,'(1x,a1,3(1x,f5.2),1x,i2,1x,i2,1x,i2,3(1x,f6.3),3(1x,f6.3),&
+- & 2x,f4.1,1x,a1)') '|',proj_site(1,nsp),proj_site(2,nsp),&
++ write(stdout,'(1x,a1,3(1x,f5.2),1x,i2,1x,i2,1x,i2,3(1x,f6.3),3(1x,f6.3),2x,f4.1,1x,a1)')&
++& '|',proj_site(1,nsp),proj_site(2,nsp),&
+ proj_site(3,nsp),proj_l(nsp), proj_m(nsp),proj_radial(nsp),&
+ proj_z(1,nsp),proj_z(2,nsp),proj_z(3,nsp),proj_x(1,nsp),&
+ proj_x(2,nsp),proj_x(3,nsp),proj_zona(nsp),'|'
+@@ -2738,8 +2739,8 @@
+ dummy=utility_strip(in_data(line))
+ dummy=adjustl(dummy)
+ pos1=index(dummy,':')
+- if(pos1==0) call io_error('param_read_projection: malformed projection &
+- &definition: '//trim(dummy))
++ if(pos1==0) &
++ call io_error('param_read_projection: malformed projection definition: '//trim(dummy))
+ sites=0
+ ctemp=dummy(:pos1-1)
+ ! Read the atomic site
+@@ -2980,11 +2981,11 @@
+ endif
+ end if
+ if(sites==-1) then
+- if(counter+sum(ang_states) > num_proj) call io_error('param_get_projection: &
+- &too many projections defined')
++ if(counter+sum(ang_states) > num_proj) &
++ call io_error('param_get_projection: too many projections defined')
+ else
+- if(counter+sites*sum(ang_states) > num_proj) call io_error('param_get_projection:&
+- & too many projections defined')
++ if(counter+sites*sum(ang_states) > num_proj) &
++ call io_error('param_get_projection: too many projections defined')
+ end if
+ !
+ if(sites==-1) then
+@@ -3025,8 +3026,8 @@
+
+ ! check there are enough projections and add random projections if required
+ if (.not. lpartrandom) then
+- if (counter.ne.num_proj) call io_error('param_get_projections:&
+- & Fewer projections defined than the number of Wannier functions requested')
++ if (counter.ne.num_proj) call io_error(&
++ 'param_get_projections: Fewer projections defined than the number of Wannier functions requested')
+ else
+ call random_seed()
+ do loop=counter+1,num_proj