Add some dependencies of abinit, split out from bundled plugins.

13 files changed, 545 insertions, 0 deletions

diff --git a/sci-libs/bigdft/Manifest b/sci-libs/bigdft/Manifest
new file mode 100644
index 0000000..5d723f0
--- /dev/null
+++ b/sci-libs/bigdft/Manifest
@@ -0,0 +1,3 @@
+AUX bigdft-1.2.0-0001.patch 4760 RMD160 fb54d83e404c35d4384d797e4372e4b7b83e0afd SHA1 ef995c8c7671ba5df253c23ed14c91974a01f07f SHA256 b368327f7a55007da142b4f84f3b7e92cb0f787400747021143c70bed3231a67
+DIST bigdft-1.2.0.tar.gz 947932 RMD160 163d16cf8cdf438c483bc773957061e293ed5695 SHA1 5570c247ca378c8de81c74d1d55c8f9bb4bd54be SHA256 d28597a0e29bad3200270985374aba3d0c2adbb35cb6b33765c3c7183e7db77f
+EBUILD bigdft-1.2.0.ebuild 1218 RMD160 178ded0890c6566a647860aeab0404d6ddcb73c8 SHA1 d01318f40886a1db74748cbd4da728a618126710 SHA256 28e91e966f62fd255a73d4181a4d22f9673dc571d20030e2f9faae921038fcac
diff --git a/sci-libs/bigdft/bigdft-1.2.0.ebuild b/sci-libs/bigdft/bigdft-1.2.0.ebuild
new file mode 100644
index 0000000..fbb8336
--- /dev/null
+++ b/sci-libs/bigdft/bigdft-1.2.0.ebuild
@@ -0,0 +1,51 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=2
+
+inherit eutils fortran
+
+DESCRIPTION="DFT electronic structure code using a wavelet basis set"
+HOMEPAGE="http://inac.cea.fr/L_Sim/BigDFT"
+SRC_URI="${HOMEPAGE}/${P}.tar.gz"
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda mpi"
+RDEPEND="cuda? ( dev-util/nvidia-cuda-sdk )
+	mpi? ( virtual/mpi )
+	virtual/lapack
+	virtual/blas"
+DEPEND="${RDEPEND}
+	>=sys-devel/autoconf-2.59"
+
+FORTRAN="gfortran ifc mpif90"
+
+src_prepare() {
+	# Patch taken from sci-physics/abinit-5.7.3 bundled version
+	epatch "${FILESDIR}"/${P}-0001.patch
+}
+
+src_configure() {
+	if [[ -z ${FCFLAGS} ]]; then
+		einfo "Defaulting to ${FCFLAGS} for FCFLAGS"
+		: ${FCFLAGS:--O2}
+	fi
+
+	# Build this as a library for sci-physics/abinit
+	econf \
+		--disable-libabinit \
+		--with-moduledir=/usr/include \
+		--disable-binaries \
+		$(use_enable mpi) \
+		$(use_enable cuda cuda-gpu) \
+		$(use_with cuda cuda-path /opt/cuda) \
+		$(use_with cuda lib-cutils /opt/cuda/lib) \
+		FCFLAGS="${FCFLAGS}"
+}
+
+src_install() {
+	emake DESTDIR="${D}" install || die "emake install failed"
+
+	dodoc README NEWS AUTHORS INSTALL ChangeLog || die "dodoc failed"
+}
diff --git a/sci-libs/bigdft/files/bigdft-1.2.0-0001.patch b/sci-libs/bigdft/files/bigdft-1.2.0-0001.patch
new file mode 100644
index 0000000..3ef8bed
--- /dev/null
+++ b/sci-libs/bigdft/files/bigdft-1.2.0-0001.patch
@@ -0,0 +1,151 @@
+diff -urN bigdft-1.2.0.old/src/init/ionicpot.f90 bigdft-1.2.0.new/src/init/ionicpot.f90
+--- bigdft-1.2.0.old/src/init/ionicpot.f90	2009-03-08 07:28:32.000000000 +0100
++++ bigdft-1.2.0.new/src/init/ionicpot.f90	2009-03-08 07:29:03.000000000 +0100
+@@ -8,7 +8,7 @@
+   integer, intent(in) :: iproc,nproc,n1,n2,n3,n1i,n2i,n3i,i3s,n3pi
+   real(gp), intent(in) :: hxh,hyh,hzh
+   real(gp), dimension(3,at%nat), intent(in) :: rxyz
+-  real(dp), dimension(*), intent(in) :: pkernel
++  real(gp), dimension(*), intent(in) :: pkernel
+   real(gp), intent(out) :: eion,psoffset
+   real(gp), dimension(3,at%nat), intent(out) :: fion
+   real(dp), dimension(*), intent(out) :: pot_ion
+@@ -757,7 +757,7 @@
+   !local variables
+   integer :: iat,ityp
+   real(wp) :: pi,charge
+-  real(gp) :: r,sq2rl,rx,ry,rz
++  real(gp) :: r,sq2rl,rx,ry,rz,arg,derf_arg
+   
+ 
+   pi=4.0_wp*atan(1.0_wp)
+@@ -779,7 +779,9 @@
+      if (r == 0.0_gp) then
+         potxyz = potxyz - charge*2.0_wp/(sqrt(pi)*real(sq2rl,wp))
+      else
+-        potxyz = potxyz - charge*real(erf(r/sq2rl)/r,wp)
++        arg=r/sq2rl
++        call derf(derf_arg,arg)
++        potxyz = potxyz - charge*real(derf_arg/r,wp)
+      end if
+ 
+   end do
+@@ -799,3 +801,118 @@
+      nr=15
+   end if
+ end subroutine ext_buffers
++
++subroutine derf(derf_yy,yy)
++
++ use module_base
++ implicit none
++ real(gp),intent(in) :: yy
++ real(gp),intent(out) :: derf_yy
++ integer          ::  done,ii,isw
++ real(gp), parameter :: &
++       ! coefficients for 0.0 <= yy < .477
++       &  pp(5)=(/ 113.8641541510502e0_gp, 377.4852376853020e0_gp,  &
++       &           3209.377589138469e0_gp, .1857777061846032e0_gp,  &
++       &           3.161123743870566e0_gp /)
++  real(gp), parameter :: &
++       &  qq(4)=(/ 244.0246379344442e0_gp, 1282.616526077372e0_gp,  &
++       &           2844.236833439171e0_gp, 23.60129095234412e0_gp/)
++  ! coefficients for .477 <= yy <= 4.0
++  real(gp), parameter :: &
++       &  p1(9)=(/ 8.883149794388376e0_gp, 66.11919063714163e0_gp,  &
++       &           298.6351381974001e0_gp, 881.9522212417691e0_gp,  &
++       &           1712.047612634071e0_gp, 2051.078377826071e0_gp,  &
++       &           1230.339354797997e0_gp, 2.153115354744038e-8_gp, &
++       &           .5641884969886701e0_gp /)
++  real(gp), parameter :: &
++       &  q1(8)=(/ 117.6939508913125e0_gp, 537.1811018620099e0_gp,  &
++       &           1621.389574566690e0_gp, 3290.799235733460e0_gp,  &
++       &           4362.619090143247e0_gp, 3439.367674143722e0_gp,  &
++       &           1230.339354803749e0_gp, 15.74492611070983e0_gp/)
++  ! coefficients for 4.0 < y,
++  real(gp), parameter :: &
++       &  p2(6)=(/ -3.603448999498044e-01_gp, -1.257817261112292e-01_gp,   &
++       &           -1.608378514874228e-02_gp, -6.587491615298378e-04_gp,   &
++       &           -1.631538713730210e-02_gp, -3.053266349612323e-01_gp/)
++  real(gp), parameter :: &
++       &  q2(5)=(/ 1.872952849923460e0_gp   , 5.279051029514284e-01_gp,    &
++       &           6.051834131244132e-02_gp , 2.335204976268692e-03_gp,    &
++       &           2.568520192289822e0_gp /)
++  real(gp), parameter :: &
++       &  sqrpi=.5641895835477563e0_gp, xbig=13.3e0_gp, xlarge=6.375e0_gp, xmin=1.0e-10_gp
++  real(gp) ::  res,xden,xi,xnum,xsq,xx
++
++ xx = yy
++ isw = 1
++!Here change the sign of xx, and keep track of it thanks to isw
++ if (xx<0.0e0_gp) then
++  isw = -1
++  xx = -xx
++ end if
++
++ done=0
++
++!Residual value, if yy < -6.375e0_gp
++ res=-1.0e0_gp
++
++!abs(yy) < .477, evaluate approximation for erfc
++ if (xx<0.477e0_gp) then
++! xmin is a very small number
++  if (xx<xmin) then
++   res = xx*pp(3)/qq(3)
++  else
++   xsq = xx*xx
++   xnum = pp(4)*xsq+pp(5)
++   xden = xsq+qq(4)
++   do ii = 1,3
++    xnum = xnum*xsq+pp(ii)
++    xden = xden*xsq+qq(ii)
++   end do
++   res = xx*xnum/xden
++  end if
++  if (isw==-1) res = -res
++  done=1
++ end if
++
++!.477 < abs(yy) < 4.0 , evaluate approximation for erfc
++ if (xx<=4.0e0_gp .and. done==0 ) then
++  xsq = xx*xx
++  xnum = p1(8)*xx+p1(9)
++  xden = xx+q1(8)
++  do ii=1,7
++   xnum = xnum*xx+p1(ii)
++   xden = xden*xx+q1(ii)
++  end do
++  res = xnum/xden
++  res = res* exp(-xsq)
++  if (isw.eq.-1) res = res-1.0e0_gp
++  done=1
++ end if
++
++!y > 13.3e0_gp
++ if (isw > 0 .and. xx > xbig .and. done==0 ) then
++  res = 1.0e0_gp
++  done=1
++ end if
++
++!4.0 < yy < 13.3e0_gp  .or. -6.375e0_gp < yy < -4.0
++!evaluate minimax approximation for erfc
++ if ( ( isw > 0 .or. xx < xlarge ) .and. done==0 ) then
++  xsq = xx*xx
++  xi = 1.0e0_gp/xsq
++  xnum= p2(5)*xi+p2(6)
++  xden = xi+q2(5)
++  do ii = 1,4
++   xnum = xnum*xi+p2(ii)
++   xden = xden*xi+q2(ii)
++  end do
++  res = (sqrpi+xi*xnum/xden)/xx
++  res = res* exp(-xsq)
++  if (isw.eq.-1) res = res-1.0e0_gp
++ end if
++
++!All cases have been investigated
++ derf_yy = res
++
++end subroutine derf
++
diff --git a/sci-libs/etsf_io/Manifest b/sci-libs/etsf_io/Manifest
new file mode 100644
index 0000000..357c9b9
--- /dev/null
+++ b/sci-libs/etsf_io/Manifest
@@ -0,0 +1,3 @@
+AUX 1.0.2-as-needed.patch 983 RMD160 25f73057a074295ee28f3f1cf10a4d308846a8e5 SHA1 dadd68c543ca786bc33aba5633416e23c95c5611 SHA256 fe9190f60b438d33fa27d23430c2bd049e2e77f07759ccb825b78ed1be9eedcf
+DIST etsf_io-1.0.2.tar.gz 354902 RMD160 c21111e05cfe33ccc2c7f80f8a47db2d506f54f5 SHA1 28d712321bff073b211c60dee6d02b0f79c55406 SHA256 714208a2a4268fa11bd270d73e9a747900c1dff9c16768f6b1220556171ce035
+EBUILD etsf_io-1.0.2.ebuild 1223 RMD160 f9cdf6bd7eabd69982e7f8cbb97c6c5b2626bde2 SHA1 ed63ca9f0ea48a9265d8ce3f93e746d4beac5b73 SHA256 bce1cf8b876ca73937f717203c7c3937e1ad4cab5b8ad707634f7d8ccb952f1f
diff --git a/sci-libs/etsf_io/etsf_io-1.0.2.ebuild b/sci-libs/etsf_io/etsf_io-1.0.2.ebuild
new file mode 100644
index 0000000..83f71fa
--- /dev/null
+++ b/sci-libs/etsf_io/etsf_io-1.0.2.ebuild
@@ -0,0 +1,47 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=2
+
+inherit autotools eutils fortran flag-o-matic multilib
+
+DESCRIPTION="A library of Fortran90 routines to read/write the ETSF file format"
+HOMEPAGE="http://www.etsf.eu/resources/software/libraries_and_tools"
+SRC_URI="http://www.etsf.eu/sites/default/files/${P}.tar_.gz -> ${P}.tar.gz"
+LICENSE="LGPL-2.1"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="debug examples"
+RDEPEND="sci-libs/netcdf[fortran]"
+DEPEND="${RDEPEND}
+	>=sys-devel/autoconf-2.59"
+
+FORTRAN="gfortran ifc pgf90"
+
+src_prepare() {
+	epatch "${FILESDIR}"/${PV}-as-needed.patch
+	eautoreconf
+}
+
+src_configure() {
+	use debug || append-cppflags -DNDEBUG
+
+	if [[ -z ${FCFLAGS} ]]; then
+		einfo "Defaulting to ${FCFLAGS} for FCFLAGS"
+		: ${FCFLAGS:--O2}
+	fi
+
+	econf \
+		$(use_enable examples build-tutorials) \
+		--with-netcdf-ldflags="-L/usr/$(get_libdir)" \
+		--with-netcdf-libs="-lnetcdff" \
+		--with-moduledir=/usr/include \
+		FCFLAGS="${FCFLAGS}"
+#		--with-netcdf-ldflags="-L/usr/$(get_libdir) -lnetcdff" \
+}
+
+src_install() {
+	emake DESTDIR="${D}" install || die "emake install failed"
+
+	dodoc README NEWS AUTHORS INSTALL ChangeLog || die "dodoc failed"
+}
diff --git a/sci-libs/etsf_io/files/1.0.2-as-needed.patch b/sci-libs/etsf_io/files/1.0.2-as-needed.patch
new file mode 100644
index 0000000..f56c5a2
--- /dev/null
+++ b/sci-libs/etsf_io/files/1.0.2-as-needed.patch
@@ -0,0 +1,24 @@
+--- configure.ac.orig	2009-03-14 22:22:16.000000000 -0700
++++ configure.ac	2009-03-14 22:26:03.000000000 -0700
+@@ -98,6 +98,11 @@
+ if test -n "$ac_netcdf_dir" ; then
+   LDFLAGS="$LDFLAGS $ac_netcdf_dir"
+ fi
++AC_ARG_WITH(netcdf-libs, AS_HELP_STRING([--with-netcdf-libs], [Give the libraries required to link with the NetCDF library (default is none).]),
++            ac_netcdf_libs=$withval, ac_netcdf_libs=)
++if test -n "$ac_netcdf_libs" ; then
++  LIBS="$LIBS $ac_netcdf_libs"
++fi
+ FCFLAGS_SVG=$FCFLAGS
+ FCFLAGS="$FCFLAGS -I$ac_netcdf_mod"
+ LIBS="$LIBS -lnetcdf"
+@@ -113,7 +118,8 @@
+ FCFLAGS=$FCFLAGS_SVG
+ if test "$withnetcdf" = "no" ; then
+   echo "LDFLAGS was $LDFLAGS"
+-  echo "Action: install NetCDF and set the library link path with --with-netcdf-ldflags."
++  echo "LIBS was $LIBS"
++  echo "Action: install NetCDF and set the library link path with --with-netcdf-ldflags and additional libraries with --with-netcdf-libs."
+   AC_MSG_ERROR(["No 'NetCDF' library found."])
+ fi
+ 
diff --git a/sci-libs/fox/Manifest b/sci-libs/fox/Manifest
new file mode 100644
index 0000000..5ada8b8
--- /dev/null
+++ b/sci-libs/fox/Manifest
@@ -0,0 +1,3 @@
+AUX 1.0.2-as-needed.patch 983 RMD160 25f73057a074295ee28f3f1cf10a4d308846a8e5 SHA1 dadd68c543ca786bc33aba5633416e23c95c5611 SHA256 fe9190f60b438d33fa27d23430c2bd049e2e77f07759ccb825b78ed1be9eedcf
+DIST FoX-4.0.3-full.tar.gz 494585 RMD160 24f87b1f56f8986525e01013b7f3829f69c57821 SHA1 26e8d31434906500e0dd62c60c36dba819ef5d1a SHA256 2ea30be5e76f4ed168ed813497fc345381eefab7d26fb3dd10742b6f3fe600ca
+EBUILD fox-4.0.3.ebuild 1114 RMD160 5b46c00e45373f0c81449113e7db5656c05c576c SHA1 2f0572ba3507388e40db50365dc9ea0509df772c SHA256 d41362720eb54846048c04bb9e4749e7d36772dbcd13b1d35b162aab6e8c0589
diff --git a/sci-libs/fox/files/1.0.2-as-needed.patch b/sci-libs/fox/files/1.0.2-as-needed.patch
new file mode 100644
index 0000000..f56c5a2
--- /dev/null
+++ b/sci-libs/fox/files/1.0.2-as-needed.patch
@@ -0,0 +1,24 @@
+--- configure.ac.orig	2009-03-14 22:22:16.000000000 -0700
++++ configure.ac	2009-03-14 22:26:03.000000000 -0700
+@@ -98,6 +98,11 @@
+ if test -n "$ac_netcdf_dir" ; then
+   LDFLAGS="$LDFLAGS $ac_netcdf_dir"
+ fi
++AC_ARG_WITH(netcdf-libs, AS_HELP_STRING([--with-netcdf-libs], [Give the libraries required to link with the NetCDF library (default is none).]),
++            ac_netcdf_libs=$withval, ac_netcdf_libs=)
++if test -n "$ac_netcdf_libs" ; then
++  LIBS="$LIBS $ac_netcdf_libs"
++fi
+ FCFLAGS_SVG=$FCFLAGS
+ FCFLAGS="$FCFLAGS -I$ac_netcdf_mod"
+ LIBS="$LIBS -lnetcdf"
+@@ -113,7 +118,8 @@
+ FCFLAGS=$FCFLAGS_SVG
+ if test "$withnetcdf" = "no" ; then
+   echo "LDFLAGS was $LDFLAGS"
+-  echo "Action: install NetCDF and set the library link path with --with-netcdf-ldflags."
++  echo "LIBS was $LIBS"
++  echo "Action: install NetCDF and set the library link path with --with-netcdf-ldflags and additional libraries with --with-netcdf-libs."
+   AC_MSG_ERROR(["No 'NetCDF' library found."])
+ fi
+ 
diff --git a/sci-libs/fox/fox-4.0.3.ebuild b/sci-libs/fox/fox-4.0.3.ebuild
new file mode 100644
index 0000000..6c9ce11
--- /dev/null
+++ b/sci-libs/fox/fox-4.0.3.ebuild
@@ -0,0 +1,57 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=2
+
+inherit fortran
+
+MY_PN="FoX"
+MY_P="${MY_PN}-${PV}"
+
+DESCRIPTION="A library designed to allow the easy use of XML from Fortran"
+HOMEPAGE="http://uszla.me.uk/space/software/FoX/"
+SRC_URI="http://www.uszla.me.uk/FoX/source/${MY_P}-full.tar.gz"
+LICENSE="BSD ZLIB"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="debug"
+RDEPEND=""
+DEPEND="${RDEPEND}"
+S="${WORKDIR}/${MY_P}"
+
+FORTRAN="gfortran ifc"
+
+src_configure() {
+	if [[ -z ${FCFLAGS} ]]; then
+		einfo "Defaulting to ${FCFLAGS} for FCFLAGS"
+		: ${FCFLAGS:--O2}
+	fi
+
+	econf \
+		$(use_enable debug) \
+		FCFLAGS="${FCFLAGS}"
+}
+
+src_compile() {
+	emake -j1 || die
+}
+
+src_test() {
+	emake check || die
+	einfo "Please look at the last few RESULT lines for a summary."
+}
+
+src_install() {
+	emake install_prefix="${D}/usr" install || die
+
+	pushd "${D}" 2>/dev/null
+	mv usr/finclude usr/include || die
+	sed -i \
+		-e "s:finclude:include:g" \
+		-e "s:${D}::g" \
+		usr/bin/FoX-config || die
+	popd 2>/dev/null
+
+	dodoc README.FoX.txt Changelog || die
+	dohtml -r DoX/ || die
+}
diff --git a/sci-libs/wannier90/Manifest b/sci-libs/wannier90/Manifest
new file mode 100644
index 0000000..5bdf49d
--- /dev/null
+++ b/sci-libs/wannier90/Manifest
@@ -0,0 +1,4 @@
+AUX wannier90-1.1-0001.patch 616 RMD160 b92b6bf4f80dab94bc560325a8cde388a6c7a844 SHA1 375d6a8ff738e6e6ba55009802e2b651e95fa6e8 SHA256 05398424121dbe53f35559b0e0e372ea841f5dd5a9ede53df66afb805b5ef22a
+AUX wannier90-1.1-0002.patch 5596 RMD160 36dd891904566fef47f601cc436bf0c89e10fcc3 SHA1 8dc7ff37147530a3a63484ef2695d2141bd20433 SHA256 2476ccf3090cbab54b699327df20b81c5aa75bd2b5c0b203841d5ec6128c620a
+DIST wannier90-1.1.tar.gz 6259705 RMD160 3d4f322eb61f32bd083c3697d1f40b75904d33f2 SHA1 3c8910919994f3828021ef860342c34ee3c35b90 SHA256 aa19c43723ac7808c44cdc8830fc1e81e049b303837ef2642c72e2d55553d09a
+EBUILD wannier90-1.1.ebuild 1146 RMD160 2b5a905776c77435f6f010784ff81d059b0f71e1 SHA1 55e134536e1420bd76729bed0b78122d70c86b75 SHA256 aabbbbaff5c0ab70421e4c6ccab2a13fc8df2aea23241c7d35958a3c2abc299f
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 0000000..e68c5f4
--- /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 0000000..391a34c
--- /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
diff --git a/sci-libs/wannier90/wannier90-1.1.ebuild b/sci-libs/wannier90/wannier90-1.1.ebuild
new file mode 100644
index 0000000..325785d
--- /dev/null
+++ b/sci-libs/wannier90/wannier90-1.1.ebuild
@@ -0,0 +1,57 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=2
+
+inherit eutils fortran
+
+DESCRIPTION="Calculates maximally localized Wannier functions (MLWFs)"
+HOMEPAGE="http://www.wannier.org/"
+SRC_URI="http://quasiamore.mit.edu/wannier/code/${P}.tar.gz"
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+RDEPEND=""
+DEPEND="${RDEPEND}"
+
+FORTRAN="gfortran ifc mpif90"
+
+src_prepare() {
+	# Patch taken from sci-physics/abinit-5.7.3 bundled version
+	epatch "${FILESDIR}"/${P}-0001.patch
+	epatch "${FILESDIR}"/${P}-0002.patch
+}
+
+src_configure() {
+	if [[ -n ${FFLAGS} ]]; then
+		FCFLAGS="${FFLAGS}"
+	else
+		FCFLAGS="-O2"
+		einfo "Defaulting to ${FCFLAGS} for FFFLAGS"
+	fi
+
+	cat <<- EOF >> "${S}"/make.sys
+		F90 = ${FORTRANC}
+		FCOPTS = ${FCFLAGS}
+		LDOPTS = ${LDFLAGS}
+		LIBS = -llapack -lblas
+	EOF
+}
+
+src_compile() {
+	emake wannier lib || die
+}
+
+src_test() {
+	einfo "Compare the 'Standard' and 'Current' outputs of this test."
+	pushd tests
+	emake test || die
+	cat wantest.log
+}
+
+src_install() {
+	dobin wannier90.x || die
+	dolib.a libwannier.a || die
+	dodoc doc/*pdf README CHANGE.log || die
+}