[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/

2021-12-16 Thread Andrew Ammerlaan 
commit: 0921f201ac5c57d5d66fe6247aebae1bc9db3b39
Author: Andrew Ammerlaan  gentoo  org>
AuthorDate: Thu Dec 16 10:54:12 2021 +
Commit: Andrew Ammerlaan  gentoo  org>
CommitDate: Thu Dec 16 10:54:12 2021 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=0921f201

sci-physics/atompaw: drop UnusedInherits

Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan  gentoo.org>

 sci-physics/atompaw/atompaw-4.1.1.0.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild 
b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
index 890da6497..b9d8912b8 100644
--- a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
+++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
@@ -3,7 +3,7 @@
 
 EAPI=7
 
-inherit fortran-2 multilib toolchain-funcs
+inherit fortran-2 toolchain-funcs
 
 DESCRIPTION="PAW atomic data generator"
 HOMEPAGE="http://users.wfu.edu/natalie/papers/pwpaw/man.html";

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/

2021-02-01 Thread Andrew Ammerlaan 
commit: dca6241724053c1532b08ce9b9501deabca03957
Author: Andrew Ammerlaan  riseup  net>
AuthorDate: Mon Feb  1 14:52:19 2021 +
Commit: Andrew Ammerlaan  riseup  net>
CommitDate: Mon Feb  1 14:52:19 2021 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=dca62417

sci-physics/atompaw: fix homepage

the https version gives an ssl error on repology

Package-Manager: Portage-3.0.14, Repoman-3.0.2
Signed-off-by: Andrew Ammerlaan  riseup.net>

 sci-physics/atompaw/atompaw-4.1.1.0.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild 
b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
index bc9c31650..890da6497 100644
--- a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
+++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
@@ -6,7 +6,7 @@ EAPI=7
 inherit fortran-2 multilib toolchain-funcs
 
 DESCRIPTION="PAW atomic data generator"
-HOMEPAGE="https://users.wfu.edu/natalie/papers/pwpaw/man.html";
+HOMEPAGE="http://users.wfu.edu/natalie/papers/pwpaw/man.html";
 SRC_URI="
http://users.wfu.edu/natalie/papers/pwpaw/${P}.tar.gz
http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/

2021-01-28 Thread Andrew Ammerlaan 
commit: f26b1311129ed399e50919eefda4053767d879f4
Author: Andrew Ammerlaan  riseup  net>
AuthorDate: Thu Jan 28 16:30:47 2021 +
Commit: Andrew Ammerlaan  riseup  net>
CommitDate: Thu Jan 28 16:30:47 2021 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=f26b1311

sci-physics/atompaw: install pdf docs unconditionally

Package-Manager: Portage-3.0.14, Repoman-3.0.2
Signed-off-by: Andrew Ammerlaan  riseup.net>

 sci-physics/atompaw/atompaw-4.1.1.0.ebuild | 13 +
 1 file changed, 5 insertions(+), 8 deletions(-)

diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild 
b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
index efba86aee..bc9c31650 100644
--- a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
+++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
@@ -9,16 +9,15 @@ DESCRIPTION="PAW atomic data generator"
 HOMEPAGE="https://users.wfu.edu/natalie/papers/pwpaw/man.html";
 SRC_URI="
http://users.wfu.edu/natalie/papers/pwpaw/${P}.tar.gz
-   doc? (
-   http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf
-   
http://users.wfu.edu/natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf
-)"
+   http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf
+   http://users.wfu.edu/natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf
+"
 
 LICENSE="GPL-2"
 SLOT="0"
 KEYWORDS="~amd64 ~x86"
 
-IUSE="doc libxc longplot"
+IUSE="libxc longplot"
 
 RDEPEND="
virtual/blas
@@ -32,9 +31,7 @@ FORTRAN_STANDARD=90
 
 src_unpack() {
unpack ${P}.tar.gz
-   if use doc; then
-   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf 
"${S}"/doc/ || die
-   fi
+   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || 
die
 }
 
 src_prepare() {

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/

2021-01-28 Thread Andrew Ammerlaan 
commit: 3d69c76eaed568c123088e708274d536c46e3e09
Author: Andrew Ammerlaan  riseup  net>
AuthorDate: Thu Jan 28 16:07:57 2021 +
Commit: Andrew Ammerlaan  riseup  net>
CommitDate: Thu Jan 28 16:07:57 2021 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=3d69c76e

sci-physics/atompaw: version bump 4.1.1.0, EAPI bump

Package-Manager: Portage-3.0.14, Repoman-3.0.2
Manifest-Sign-Key: A19F636CD4EDBCD1
Signed-off-by: Andrew Ammerlaan  riseup.net>

 sci-physics/atompaw/atompaw-4.0.0.14.ebuild | 69 -
 sci-physics/atompaw/atompaw-4.1.1.0.ebuild  | 58 
 2 files changed, 58 insertions(+), 69 deletions(-)

diff --git a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild 
b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
deleted file mode 100644
index 1e908bd96..0
--- a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
+++ /dev/null
@@ -1,69 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-inherit autotools-utils eutils fortran-2 multilib toolchain-funcs
-
-DESCRIPTION="PAW atomic data generator"
-HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html";
-SRC_URI="
-   http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz
-   doc? (
-   http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
-   
http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc libxc longplot test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
-   virtual/blas
-   virtual/lapack
-   libxc? ( >=sci-libs/libxc-2.0.1[fortran] )"
-DEPEND="${RDEPEND}
-   virtual/pkgconfig"
-
-DOCS=( README )
-
-FORTRAN_STANDARD=90
-
-src_unpack() {
-   unpack ${P}.tar.gz
-   if use doc; then
-   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf 
"${S}"/doc/ || die
-   fi
-}
-
-src_prepare() {
-   use longplot && epatch "${FILESDIR}"/4.0-longplot.patch
-}
-
-src_configure() {
-   local myeconfargs=(
-   $(use_enable libxc)
-   --with-linalg-flavor=atlas
-   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs blas lapack)"
-   --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) 
--cflags libxc)"
-   --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)"
-   FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}"
-   CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}"
-   )
-   autotools-utils_src_configure
-}
-
-src_compile() {
-   autotools-utils_src_compile -j1
-}
-
-src_test() {
-   use test && autotools-utils_src_test
-}
-
-src_install() {
-   autotools-utils_src_install
-
-   use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf
-}

diff --git a/sci-physics/atompaw/atompaw-4.1.1.0.ebuild 
b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
new file mode 100644
index 0..efba86aee
--- /dev/null
+++ b/sci-physics/atompaw/atompaw-4.1.1.0.ebuild
@@ -0,0 +1,58 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="PAW atomic data generator"
+HOMEPAGE="https://users.wfu.edu/natalie/papers/pwpaw/man.html";
+SRC_URI="
+   http://users.wfu.edu/natalie/papers/pwpaw/${P}.tar.gz
+   doc? (
+   http://users.wfu.edu/natalie/papers/pwpaw/atompaw.pdf
+   
http://users.wfu.edu/natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf
+)"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+
+IUSE="doc libxc longplot"
+
+RDEPEND="
+   virtual/blas
+   virtual/lapack
+   libxc? ( >=sci-libs/libxc-2.0.1[fortran] )
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+FORTRAN_STANDARD=90
+
+src_unpack() {
+   unpack ${P}.tar.gz
+   if use doc; then
+   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf 
"${S}"/doc/ || die
+   fi
+}
+
+src_prepare() {
+   default
+   use longplot && eapply "${FILESDIR}"/4.0-longplot.patch
+}
+
+src_configure() {
+   econf \
+   $(use_enable libxc) \
+   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs blas lapack)" \
+   --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) 
--cflags libxc)" \
+   --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" \
+   FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \
+   CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}"
+}
+
+src_install() {
+   default
+   dodoc doc/atompaw.pdf doc/atompawEqns.pdf
+}

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/

2021-01-19 Thread Andrew Ammerlaan 
commit: 901991c21a4f49579355453aff6a3415e9feecc7
Author: Andrew Ammerlaan  riseup  net>
AuthorDate: Tue Jan 19 16:58:04 2021 +
Commit: Andrew Ammerlaan  riseup  net>
CommitDate: Tue Jan 19 16:58:04 2021 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=901991c2

sci-physics/atompaw: add RESTRICT="!test? ( test )"

Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Andrew Ammerlaan  riseup.net>

 sci-physics/atompaw/atompaw-4.0.0.14.ebuild | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild 
b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
index a1129718a..1e908bd96 100644
--- a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
+++ b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=5
@@ -17,6 +17,7 @@ LICENSE="GPL-2"
 SLOT="0"
 KEYWORDS="~amd64 ~x86"
 IUSE="doc libxc longplot test"
+RESTRICT="!test? ( test )"
 
 RDEPEND="
virtual/blas

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/

2020-12-11 Thread Aisha Tammy 
commit: 38fa02c8cc33f0dfc7dc8fe9788b583e9dd22d3b
Author: Aisha Tammy  aisha  cc>
AuthorDate: Wed Dec  9 21:42:30 2020 +
Commit: Aisha Tammy  aisha  cc>
CommitDate: Fri Dec 11 18:55:04 2020 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=38fa02c8

sci-physics/atompaw: fix linking to blas

Closes: https://bugs.gentoo.org/755818

Jan Macháček  centrum.cz>
Package-Manager: Portage-3.0.11, Repoman-3.0.2
Signed-off-by: Aisha Tammy  aisha.cc>

 sci-physics/atompaw/atompaw-4.0.0.14.ebuild | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild 
b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
index 1c272ace6..a1129718a 100644
--- a/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
+++ b/sci-physics/atompaw/atompaw-4.0.0.14.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2017 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=5
@@ -44,7 +44,7 @@ src_configure() {
local myeconfargs=(
$(use_enable libxc)
--with-linalg-flavor=atlas
-   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
+   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs blas lapack)"
--with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) 
--cflags libxc)"
--with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)"
FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}"

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/, sci-physics/atompaw/files/

2017-01-11 Thread Honza Macháček 
commit: b94814fb41f7cfefc7dcffc604e8952e09dd70d6
Author: Honza Macháček  centrum  cz>
AuthorDate: Wed Jan 11 15:44:50 2017 +
Commit: Honza Macháček  centrum  cz>
CommitDate: Wed Jan 11 15:44:50 2017 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=b94814fb

Version bumped to sci-physics/atompaw-4.0.0.14, old versions cleaned up.

Package-Manager: Portage-2.3.2, Repoman-2.3.1

 sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild  | 67 -
 sci-physics/atompaw/atompaw-4.0.0.13.ebuild| 69 --
 ...paw-4.0.0.10.ebuild => atompaw-4.0.0.14.ebuild} |  2 +-
 sci-physics/atompaw/files/3.0.1-longplot.patch | 12 
 sci-physics/atompaw/metadata.xml   | 24 
 5 files changed, 25 insertions(+), 149 deletions(-)

diff --git a/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild 
b/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild
deleted file mode 100644
index bbe3c2e..000
--- a/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild
+++ /dev/null
@@ -1,67 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-inherit autotools-utils eutils fortran-2 multilib toolchain-funcs
-
-DESCRIPTION="PAW atomic data generator"
-HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html";
-SRC_URI="
-   http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz
-   doc? (
-   http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
-   
http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc libxc test"
-
-RDEPEND="
-   virtual/blas
-   virtual/lapack
-   libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] )"
-DEPEND="${RDEPEND}
-   virtual/pkgconfig"
-
-DOCS=( README )
-
-FORTRAN_STANDARD=90
-
-MAKEOPTS+=" -j1"
-
-src_unpack() {
-   unpack ${P}.tar.gz
-   if use doc; then
-   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf 
"${S}"/doc/ || die
-   fi
-}
-
-src_prepare() {
-   epatch "${FILESDIR}"/3.0.1-longplot.patch
-}
-
-src_configure() {
-   local myeconfargs=(
-   $(use_enable libxc)
-   --with-linalg-flavor=atlas
-   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
-   --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) 
--cflags libxc)"
-   --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)"
-   FC="$(tc-getFC)" FCFLAGS="${FCFLAGS}"
-   CC="$(tc-getCC)" LDFLAGS="${LDFLAGS}"
-   )
-   autotools-utils_src_configure
-}
-
-src_test() {
-   use test && autotools-utils_src_test
-}
-
-src_install() {
-   autotools-utils_src_install
-
-   use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf
-}

diff --git a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild 
b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild
deleted file mode 100644
index 1251b17..000
--- a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild
+++ /dev/null
@@ -1,69 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-inherit autotools-utils eutils fortran-2 multilib toolchain-funcs
-
-DESCRIPTION="PAW atomic data generator"
-HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html";
-SRC_URI="
-   http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz
-   doc? (
-   http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
-   
http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc libxc longplot test"
-
-RDEPEND="
-   virtual/blas
-   virtual/lapack
-   libxc? ( >=sci-libs/libxc-2.0.1[fortran] )"
-DEPEND="${RDEPEND}
-   virtual/pkgconfig"
-
-DOCS=( README )
-
-FORTRAN_STANDARD=90
-
-src_unpack() {
-   unpack ${P}.tar.gz
-   if use doc; then
-   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf 
"${S}"/doc/ || die
-   fi
-}
-
-src_prepare() {
-   use longplot && epatch "${FILESDIR}"/4.0-longplot.patch
-}
-
-src_configure() {
-   local myeconfargs=(
-   $(use_enable libxc)
-   --with-linalg-flavor=atlas
-   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
-   --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) 
--cflags libxc)"
-   --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)"
-   FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}"
-   CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}"
-   )
-   autotools-utils_src_configure
-}
-
-src_compile() {
-   autotools-utils_src_compile -j1
-}
-
-src_test() {
-   use test && autotools-utils_src_test
-}
-
-src_install() {
-   autotools-utils_src_install
-
-   use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf
-}

diff -

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/

2016-06-07 Thread Honza Macháček 
commit: 6a570714eafe29fa3525ebbb6c096187b73b19c1
Author: Honza Macháček  centrum  cz>
AuthorDate: Tue Jun  7 08:52:34 2016 +
Commit: Honza Macháček  centrum  cz>
CommitDate: Tue Jun  7 08:52:34 2016 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=6a570714

sci-chemistry/atompaw version bumped to 4.0.0.13

Package-Manager: portage-2.2.27

 sci-physics/atompaw/atompaw-4.0.0.13.ebuild | 69 +
 1 file changed, 69 insertions(+)

diff --git a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild 
b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild
new file mode 100644
index 000..1251b17
--- /dev/null
+++ b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild
@@ -0,0 +1,69 @@
+# Copyright 1999-2014 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+inherit autotools-utils eutils fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="PAW atomic data generator"
+HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html";
+SRC_URI="
+   http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz
+   doc? (
+   http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
+   
http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc libxc longplot test"
+
+RDEPEND="
+   virtual/blas
+   virtual/lapack
+   libxc? ( >=sci-libs/libxc-2.0.1[fortran] )"
+DEPEND="${RDEPEND}
+   virtual/pkgconfig"
+
+DOCS=( README )
+
+FORTRAN_STANDARD=90
+
+src_unpack() {
+   unpack ${P}.tar.gz
+   if use doc; then
+   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf 
"${S}"/doc/ || die
+   fi
+}
+
+src_prepare() {
+   use longplot && epatch "${FILESDIR}"/4.0-longplot.patch
+}
+
+src_configure() {
+   local myeconfargs=(
+   $(use_enable libxc)
+   --with-linalg-flavor=atlas
+   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
+   --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) 
--cflags libxc)"
+   --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)"
+   FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}"
+   CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}"
+   )
+   autotools-utils_src_configure
+}
+
+src_compile() {
+   autotools-utils_src_compile -j1
+}
+
+src_test() {
+   use test && autotools-utils_src_test
+}
+
+src_install() {
+   autotools-utils_src_install
+
+   use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf
+}

[gentoo-commits] proj/sci:master commit in: sci-physics/atompaw/files/, sci-physics/atompaw/

2014-12-12 Thread Honza Macháček 
commit: 570ae13afb046b744d6e1d4055a30422c319de8b
Author: Honza Macháček  centrum  cz>
AuthorDate: Fri Dec 12 17:26:24 2014 +
Commit: Honza Macháček  centrum  cz>
CommitDate: Fri Dec 12 17:26:24 2014 +
URL:http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=570ae13a

Version bump of sci-physics/atompaw to 4.0.0.10

Package-Manager: portage-2.2.14

---
 sci-physics/atompaw/ChangeLog|  8 +++-
 sci-physics/atompaw/atompaw-4.0.0.10.ebuild  | 69 
 sci-physics/atompaw/files/4.0-longplot.patch | 42 +
 sci-physics/atompaw/metadata.xml | 18 ++--
 4 files changed, 132 insertions(+), 5 deletions(-)

diff --git a/sci-physics/atompaw/ChangeLog b/sci-physics/atompaw/ChangeLog
index 54678f4..065f53d 100644
--- a/sci-physics/atompaw/ChangeLog
+++ b/sci-physics/atompaw/ChangeLog
@@ -1,7 +1,13 @@
 # ChangeLog for sci-physics/atompaw
-# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*atompaw-4.0.0.10 (12 Dec 2014)
+
+  12 Dec 2014; Honza Macháček 
+  +atompaw-4.0.0.10.ebuild, +files/4.0-longplot.patch, metadata.xml:
+  Version bump to sci-physics/atompaw-4.0.0.10
+
 *atompaw-3.0.1.9-r1 (17 Jun 2013)
 
   17 Jun 2013; Honza Macháček 

diff --git a/sci-physics/atompaw/atompaw-4.0.0.10.ebuild 
b/sci-physics/atompaw/atompaw-4.0.0.10.ebuild
new file mode 100644
index 000..216ef3a
--- /dev/null
+++ b/sci-physics/atompaw/atompaw-4.0.0.10.ebuild
@@ -0,0 +1,69 @@
+# Copyright 1999-2014 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=5
+
+inherit autotools-utils eutils fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="PAW atomic data generator"
+HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html";
+SRC_URI="
+   http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz
+   doc? (
+   http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
+   
http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc libxc longplot test"
+
+RDEPEND="
+   virtual/blas
+   virtual/lapack
+   libxc? ( >=sci-libs/libxc-2.0.1[fortran] )"
+DEPEND="${RDEPEND}
+   virtual/pkgconfig"
+
+DOCS=( README )
+
+FORTRAN_STANDARD=90
+
+src_unpack() {
+   unpack ${P}.tar.gz
+   if use doc; then
+   cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf 
"${S}"/doc/ || die
+   fi
+}
+
+src_prepare() {
+   use longplot && epatch "${FILESDIR}"/4.0-longplot.patch
+}
+
+src_configure() {
+   local myeconfargs=(
+   $(use_enable libxc)
+   --with-linalg-flavor=atlas
+   --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
+   --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) 
--cflags libxc)"
+   --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)"
+   FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}"
+   CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}"
+   )
+   autotools-utils_src_configure
+}
+
+src_compile() {
+   autotools-utils_src_compile -j1
+}
+
+src_test() {
+   use test && autotools-utils_src_test
+}
+
+src_install() {
+   autotools-utils_src_install
+
+   use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf
+}

diff --git a/sci-physics/atompaw/files/4.0-longplot.patch 
b/sci-physics/atompaw/files/4.0-longplot.patch
new file mode 100644
index 000..7ae14d1
--- /dev/null
+++ b/sci-physics/atompaw/files/4.0-longplot.patch
@@ -0,0 +1,42 @@
+diff -Naurp atompaw-4.0.0.10.orig/src/atompaw_report.F90 
atompaw-4.0.0.10/src/atompaw_report.F90
+--- atompaw-4.0.0.10.orig/src/atompaw_report.F90   2014-08-21 
19:55:18.0 +
 atompaw-4.0.0.10/src/atompaw_report.F902014-10-08 14:45:17.320341463 
+
+@@ -142,7 +142,7 @@ CONTAINS
+ OPEN(ifout,file='wfn'//TRIM(flnm),form='formatted')
+ WRITE(ifout,*) '# l=',PAW%l(io),'basis function with energy  ',&
+  PAW%eig(io)
+-  DO i=1,irc+50
++  DO i=1,n
+  WRITE(ifout,'(1p,5e12.4)') Grid%r(i),PAW%ophi(i,io),&
+ PAW%otphi(i,io),PAW%otp(i,io)
+   ENDDO
+@@ -155,7 +155,7 @@ CONTAINS
+ OPEN(ifout,file='wfn00'//TRIM(flnm),form='formatted')
+ WRITE(ifout,*) '# l=',PAW%l(io),'basis function with energy  ',&
+  PAW%eig(io)
+-  DO i=1,irc+50
++  DO i=1,n
+  WRITE(ifout,'(1p,5e12.4)') Grid%r(i),PAW%phi(i,io),&
+ PAW%tphi(i,io),PAW%tp(i,io)
+   ENDDO
+diff -Naurp atompaw-4.0.0.10.orig/src/pseudo.F90 
atompaw-4.0.0.10/src/pseudo.F90
+--- atompaw-4.0.0.10.orig/src/pseudo.F90   2014-08-22 12:22:34.0 
+
 atompaw-4.0.0.10/src/pseudo.F902014-10-08 14:45:47.528573288 +00