diff options
-rw-r--r-- | sci-libs/wannier90/files/wannier90-1.1-0001.patch | 16 | ||||
-rw-r--r-- | sci-libs/wannier90/files/wannier90-1.1-0002.patch | 105 | ||||
-rw-r--r-- | sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch | 12 |
3 files changed, 0 insertions, 133 deletions
diff --git a/sci-libs/wannier90/files/wannier90-1.1-0001.patch b/sci-libs/wannier90/files/wannier90-1.1-0001.patch deleted file mode 100644 index e68c5f4fe..000000000 --- a/sci-libs/wannier90/files/wannier90-1.1-0001.patch +++ /dev/null @@ -1,16 +0,0 @@ -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 deleted file mode 100644 index 391a34ca2..000000000 --- a/sci-libs/wannier90/files/wannier90-1.1-0002.patch +++ /dev/null @@ -1,105 +0,0 @@ -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 diff --git a/sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch b/sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch deleted file mode 100644 index c9656ac31..000000000 --- a/sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch +++ /dev/null @@ -1,12 +0,0 @@ -diff -Naurp wannier90-2.0.1.1.orig/tests/run_test.pl wannier90-2.0.1.1/tests/run_test.pl ---- wannier90-2.0.1.1.orig/tests/run_test.pl 2016-02-08 11:51:52.000000000 +0000 -+++ wannier90-2.0.1.1/tests/run_test.pl 2017-01-05 12:10:29.584850729 +0000 -@@ -2,7 +2,7 @@ - # - use Cwd; - my $cwd = cwd(); --$wanex="../wannier90.x" ; -+$wanex="../src/wannier90.x" ; - $wanex=$cwd."/".$wanex ; - print " Running test set of inputs\n"; - @tests_found = <./test*>; |