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Diffstat (limited to 'sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch')
-rw-r--r--sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch67
1 files changed, 0 insertions, 67 deletions
diff --git a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch b/sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch
deleted file mode 100644
index e89da2546..000000000
--- a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch
+++ /dev/null
@@ -1,67 +0,0 @@
-diff -Naurp bigdft-1.6-tuto.1.orig/src/art/art_lanczos.f90 bigdft-1.6-tuto.1/src/art/art_lanczos.f90
---- bigdft-1.6-tuto.1.orig/src/art/art_lanczos.f90 2011-10-17 08:46:50.000000000 +0000
-+++ bigdft-1.6-tuto.1/src/art/art_lanczos.f90 2012-06-22 13:03:49.000000000 +0000
-@@ -80,11 +80,30 @@ subroutine lanczos( maxvec, new_projecti
- integer :: i_min
- real(kind=8) :: e_min
- !_______________________
-+
-+ interface
-+ !> ART center
-+ !! @author
-+ !! Written by EM 2010, see ~/AUTHORS
-+ !! It places the center of mass of a 3D vector at (0,0,0).
-+ subroutine center( vector, vecsize )
-+
-+ use defs, only : natoms, constr
-+ use bigdft_forces, only : in_system
-+ implicit none
-+
-+ !Arguments
-+ integer, intent(in) :: vecsize
-+ real(kind=8), dimension(vecsize), intent(inout), target :: vector
-+
-+ end subroutine center
-+ end interface
-+
- newpos = 0.0d0
- diag = 0.0d0
- offdiag = 0.0d0
- lanc = 0.0d0
--
-+
- boxl = box * scala
- ! We now take the current position as the
- ! reference point and will make a displacement
-diff -Naurp bigdft-1.6-tuto.1.orig/src/art/calcfo_sw.f90 bigdft-1.6-tuto.1/src/art/calcfo_sw.f90
---- bigdft-1.6-tuto.1.orig/src/art/calcfo_sw.f90 2011-10-17 08:46:50.000000000 +0000
-+++ bigdft-1.6-tuto.1/src/art/calcfo_sw.f90 2012-06-22 12:58:35.000000000 +0000
-@@ -475,6 +475,28 @@ function diff_square_force_one(P,numnei,
- integer :: trash_evalf
- real(8), dimension(3*natoms,configs_to_fit) :: force_tempo,tmp_force
-
-+interface
-+! subroutine to compute forces of one atom
-+subroutine SWcalczone(nat,posa,boxl,tmp_force, this_atom,numnei,nei)
-+
-+
-+ use SWpotential
-+ use defs, only : boundary,maxnei,iproc,MPI_COMM_WORLD
-+
-+ implicit none
-+
-+ integer, intent(in) :: nat
-+ real(kind=8), intent(in), dimension(3*nat) :: posa
-+ real(kind=8), dimension(3), intent(inout) :: boxl
-+ integer, intent(in) :: this_atom
-+ real(8), intent(out), dimension(3*nat), target:: tmp_force
-+
-+
-+ integer, dimension(nat),intent(in) :: numnei
-+ integer, dimension(nat,maxnei),intent(in) :: nei
-+end subroutine SWcalczone
-+end interface
-+
- trash_evalf = 0
- my_counter = 0
- force_tempo = force_work_fit