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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
-rw-r--r--sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch12
-rw-r--r--sci-libs/wannier90/metadata.xml1
4 files changed, 1 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*>;
diff --git a/sci-libs/wannier90/metadata.xml b/sci-libs/wannier90/metadata.xml
index a7ac8e977..273952673 100644
--- a/sci-libs/wannier90/metadata.xml
+++ b/sci-libs/wannier90/metadata.xml
@@ -18,5 +18,6 @@
<upstream>
<doc>http://www.wannier.org/</doc>
<remote-id type="launchpad">wannier90</remote-id>
+ <remote-id type="github">wannier-developers/wannier90</remote-id>
</upstream>
</pkgmetadata>