* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 1:49 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 1:49 UTC (permalink / raw
To: gentoo-commits
commit: cc628857ec107cbf152b1061d11322fd80d2a83d
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 01:48:51 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 01:48:51 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=cc628857
[sci-chemistry/ambertools] now it should work
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 24 ++++++++++++++++++++++++
1 files changed, 24 insertions(+), 0 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index 6d22631..aea832a 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -98,3 +98,27 @@ src_compile() {
cd AmberTools/src
emake || die
}
+
+src_install() {
+ for x in bin/*
+ do dobin $x || die
+ done
+ rm "${ED}/usr/bin/yacc"
+ sed -e "s:\$AMBERHOME/dat:\$AMBERHOME/share/ambertools/dat:g" \
+ -i "${ED}/usr/bin/xleap" \
+ -i "${ED}/usr/bin/tleap" || die
+ dodoc doc/AmberTools.pdf doc/leap_pg.pdf
+ dolib.a lib/*
+ insinto /usr/include/${PN}
+ doins include/*
+ insinto /usr/share/${PN}
+ doins -r dat
+ cd AmberTools
+ doins -r benchmarks
+ doins -r examples
+ doins -r test
+ cat >> "${T}"/99ambertools <<- EOF
+ AMBERHOME="${EPREFIX}/usr"
+ EOF
+ doenvd "${T}"/ambertools
+}
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 1:49 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 1:49 UTC (permalink / raw
To: gentoo-commits
commit: 69d60a43ed6fba2d70f6fc646121455475c7399f
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 01:20:28 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 01:20:28 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=69d60a43
[sci-chemistry/ambertools] Now it compiles =D
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 10 ++++++++--
1 files changed, 8 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index d5fb35b..6d22631 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -71,7 +71,13 @@ src_configure() {
-e "s:NETCDFLIB=\$netcdflib:NETCDFLIB=$(pkg-config netcdf --libs):g" \
-e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \
-e "s:-O3::g" \
- -i configure
+ -i configure || die
+ sed -e "s:arsecond_:arscnd_:g" \
+ -i sff/time.c \
+ -i sff/sff.h \
+ -i sff/sff.c || die
+ sed -e "s:\$(NAB):\$(NAB) -lrfftw:g" \
+ -i nss/Makefile || die
local myconf
@@ -90,5 +96,5 @@ src_configure() {
src_compile() {
cd AmberTools/src
- emake -f Makefile || die
+ emake || die
}
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 1:55 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 1:55 UTC (permalink / raw
To: gentoo-commits
commit: 23dce32e9c9b18d3fd4d684fe90ba1c8983b0eb5
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 01:55:03 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 01:55:03 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=23dce32e
Fix typo
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 2 +-
1 files changed, 1 insertions(+), 1 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index aea832a..e4e58ab 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -120,5 +120,5 @@ src_install() {
cat >> "${T}"/99ambertools <<- EOF
AMBERHOME="${EPREFIX}/usr"
EOF
- doenvd "${T}"/ambertools
+ doenvd "${T}"/99ambertools
}
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 18:20 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 18:20 UTC (permalink / raw
To: gentoo-commits
commit: f9b1513cec8e708df540402c8f0826809f04aa37
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 18:18:51 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 18:20:22 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=f9b1513c
[sci-chemistry/ambertools] Fix issues with path
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 16 ++++++++++++----
1 files changed, 12 insertions(+), 4 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index e4e58ab..06fa85a 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -104,9 +104,17 @@ src_install() {
do dobin $x || die
done
rm "${ED}/usr/bin/yacc"
- sed -e "s:\$AMBERHOME/dat:\$AMBERHOME/share/ambertools/dat:g" \
- -i "${ED}/usr/bin/xleap" \
- -i "${ED}/usr/bin/tleap" || die
+ dobin AmberTools/src/antechamber/mopac.sh
+ sed -e "s:bin/mopac:bin/mopac7:g" \
+ -i "${ED}/bin/mopac.sh" || die
+ # Make symlinks untill binpath for amber will be fixed
+ dodir /usr/share/${PN}/bin
+ for x in "${ED}"/usr/bin/*
+ do dosym /usr/bin/${x} /usr/share/${PN}/bin/${x}
+ done
+# sed -e "s:\$AMBERHOME/dat:\$AMBERHOME/share/ambertools/dat:g" \
+# -i "${ED}/usr/bin/xleap" \
+# -i "${ED}/usr/bin/tleap" || die
dodoc doc/AmberTools.pdf doc/leap_pg.pdf
dolib.a lib/*
insinto /usr/include/${PN}
@@ -118,7 +126,7 @@ src_install() {
doins -r examples
doins -r test
cat >> "${T}"/99ambertools <<- EOF
- AMBERHOME="${EPREFIX}/usr"
+ AMBERHOME="${EPREFIX}/usr/share/ambertools"
EOF
doenvd "${T}"/99ambertools
}
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 18:20 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 18:20 UTC (permalink / raw
To: gentoo-commits
commit: cd781ace2f722cdc9038a44f3247737eaa82f4cd
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 18:20:02 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 18:20:22 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=cd781ace
[sci-chemistry/ambertools] Fix typo
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 2 +-
1 files changed, 1 insertions(+), 1 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index 06fa85a..ec09ed4 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -105,7 +105,7 @@ src_install() {
done
rm "${ED}/usr/bin/yacc"
dobin AmberTools/src/antechamber/mopac.sh
- sed -e "s:bin/mopac:bin/mopac7:g" \
+ sed -e "s:\$AMBERHOME/bin/mopac:mopac7:g" \
-i "${ED}/bin/mopac.sh" || die
# Make symlinks untill binpath for amber will be fixed
dodir /usr/share/${PN}/bin
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 18:23 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 18:23 UTC (permalink / raw
To: gentoo-commits
commit: fe218c4b2690fe172197f68fa04c226ae1296330
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 18:22:51 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 18:22:51 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=fe218c4b
Fix another typo
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 2 +-
1 files changed, 1 insertions(+), 1 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index ec09ed4..76f17ef 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -106,7 +106,7 @@ src_install() {
rm "${ED}/usr/bin/yacc"
dobin AmberTools/src/antechamber/mopac.sh
sed -e "s:\$AMBERHOME/bin/mopac:mopac7:g" \
- -i "${ED}/bin/mopac.sh" || die
+ -i "${ED}/usr/bin/mopac.sh" || die
# Make symlinks untill binpath for amber will be fixed
dodir /usr/share/${PN}/bin
for x in "${ED}"/usr/bin/*
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 18:28 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 18:28 UTC (permalink / raw
To: gentoo-commits
commit: 2dae7262cde708e8782544a591ed4e90798366a3
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 18:28:02 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 18:28:02 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=2dae7262
Fix another typo with symlinks
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 2 +-
1 files changed, 1 insertions(+), 1 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index 76f17ef..8b39b57 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -109,7 +109,7 @@ src_install() {
-i "${ED}/usr/bin/mopac.sh" || die
# Make symlinks untill binpath for amber will be fixed
dodir /usr/share/${PN}/bin
- for x in "${ED}"/usr/bin/*
+ for x in $(ls "${ED}"/usr/bin/*)
do dosym /usr/bin/${x} /usr/share/${PN}/bin/${x}
done
# sed -e "s:\$AMBERHOME/dat:\$AMBERHOME/share/ambertools/dat:g" \
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-07 18:34 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-03-07 18:34 UTC (permalink / raw
To: gentoo-commits
commit: 413c37ea8bd927e362952b102cb9d951f662350a
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 7 18:34:26 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon Mar 7 18:34:26 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=413c37ea
Fix another typo with symlinks
(Portage version: 2.2.0_alpha26/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.4.ebuild | 6 ++++--
1 files changed, 4 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index 8b39b57..9e1297e 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -101,7 +101,7 @@ src_compile() {
src_install() {
for x in bin/*
- do dobin $x || die
+ do dobin ${x} || die
done
rm "${ED}/usr/bin/yacc"
dobin AmberTools/src/antechamber/mopac.sh
@@ -109,9 +109,11 @@ src_install() {
-i "${ED}/usr/bin/mopac.sh" || die
# Make symlinks untill binpath for amber will be fixed
dodir /usr/share/${PN}/bin
- for x in $(ls "${ED}"/usr/bin/*)
+ cd "${ED}/usr/bin"
+ for x in *
do dosym /usr/bin/${x} /usr/share/${PN}/bin/${x}
done
+ cd "${S}"
# sed -e "s:\$AMBERHOME/dat:\$AMBERHOME/share/ambertools/dat:g" \
# -i "${ED}/usr/bin/xleap" \
# -i "${ED}/usr/bin/tleap" || die
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-03-15 10:23 Justin Lecher
0 siblings, 0 replies; 19+ messages in thread
From: Justin Lecher @ 2011-03-15 10:23 UTC (permalink / raw
To: gentoo-commits
commit: a29f1f371cd826e6733dceac660de3651c4b7683
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Tue Mar 15 10:21:33 2011 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Tue Mar 15 10:21:33 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=a29f1f37
Ignore fatal patch size
(Portage version: 2.2.0_alpha27/git/Linux x86_64, RepoMan options: --force, signed Manifest commit with key 70EB7916)
---
sci-chemistry/ambertools/ChangeLog | 10 ++++++++++
sci-chemistry/ambertools/ambertools-1.4.ebuild | 7 ++-----
2 files changed, 12 insertions(+), 5 deletions(-)
diff --git a/sci-chemistry/ambertools/ChangeLog b/sci-chemistry/ambertools/ChangeLog
new file mode 100644
index 0000000..9c558c3
--- /dev/null
+++ b/sci-chemistry/ambertools/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/ambertools
+# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+ 15 Mar 2011; Justin Lecher <jlec@gentoo.org> ambertools-1.4.ebuild:
+ Remove fortran.eclass
+
+ 14 Mar 2011; Justin Lecher <jlec@gentoo.org> ambertools-1.4.ebuild:
+ Remove fortran.eclass removal
+
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index fda14ee..9e0e96b 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -4,9 +4,7 @@
EAPI="4"
-inherit toolchain-funcs eutils fortran
-
-FORTRAN="g77 gfortran ifc"
+inherit toolchain-funcs eutils
DESCRIPTION="A suite of programs for carrying out complete molecular mechanics investigations"
HOMEPAGE="http://ambermd.org/#AmberTools"
@@ -38,7 +36,6 @@ pkg_nofetch() {
}
pkg_setup() {
- need_fortran "${FORTRAN}"
if use openmp &&
[[ $(tc-getCC)$ == *gcc* ]] &&
( [[ $(gcc-major-version)$(gcc-minor-version) -lt 42 ]] ||
@@ -68,7 +65,7 @@ src_configure() {
-e "s:CFLAGS=:CFLAGS=${CFLAGS} -DBINTRAJ :g" \
-e "s:FFLAGS=:FFLAGS=${FFLAGS} :g" \
-e "s:LDFLAGS=$ldflags:LDFLAGS=${LDFLAGS}:g" \
- -e "s:fc=g77:fc=${FORTRANC}:g" \
+ -e "s:fc=g77:fc=$(tc-getFC):g" \
-e "s:NETCDFLIB=\$netcdflib:NETCDFLIB=$(pkg-config netcdf --libs):g" \
-e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \
-e "s:-O3::g" \
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-06-21 11:54 Justin Lecher
0 siblings, 0 replies; 19+ messages in thread
From: Justin Lecher @ 2011-06-21 11:54 UTC (permalink / raw
To: gentoo-commits
commit: 8436ce9d0b5b4908c7588716acf111347bdf4e81
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Tue Jun 21 10:50:20 2011 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Tue Jun 21 10:50:20 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=8436ce9d
commit
(Portage version: 2.2.0_alpha41/git/Linux x86_64, RepoMan options: --force, signed Manifest commit with key 70EB7916)
---
sci-chemistry/ambertools/ChangeLog | 4 ++++
sci-chemistry/ambertools/ambertools-1.4.ebuild | 24 +++++++++++-------------
sci-chemistry/ambertools/ambertools-1.5.ebuild | 24 +++++++++++-------------
3 files changed, 26 insertions(+), 26 deletions(-)
diff --git a/sci-chemistry/ambertools/ChangeLog b/sci-chemistry/ambertools/ChangeLog
index 26101af..ea945fd 100644
--- a/sci-chemistry/ambertools/ChangeLog
+++ b/sci-chemistry/ambertools/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 21 Jun 2011; Justin Lecher <jlec@gentoo.org> ambertools-1.4.ebuild,
+ ambertools-1.5.ebuild:
+ Added fortran-2.eclass support
+
*ambertools-1.5 (04 Jun 2011)
04 Jun 2011; Reinis Danne <rei4dan@gmail.com> +ambertools-1.5.ebuild,
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index 9e0e96b..67e1428 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -2,11 +2,11 @@
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI="4"
+EAPI=4
-inherit toolchain-funcs eutils
+inherit toolchain-funcs eutils fortran-2
-DESCRIPTION="A suite of programs for carrying out complete molecular mechanics investigations"
+DESCRIPTION="A suite for carrying out complete molecular mechanics investigations"
HOMEPAGE="http://ambermd.org/#AmberTools"
SRC_URI="AmberTools-${PV}.tar.bz2"
@@ -14,6 +14,7 @@ LICENSE="GPL-2"
SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="mpi openmp X"
+
RESTRICT="fetch"
RDEPEND="
@@ -36,21 +37,18 @@ pkg_nofetch() {
}
pkg_setup() {
- if use openmp &&
- [[ $(tc-getCC)$ == *gcc* ]] &&
- ( [[ $(gcc-major-version)$(gcc-minor-version) -lt 42 ]] ||
- ! has_version sys-devel/gcc[openmp] )
- then
- ewarn "You are using gcc and OpenMP is only available with gcc >= 4.2 "
- ewarn "If you want to build ${PN} with OpenMP, abort now,"
- ewarn "and switch CC to an OpenMP capable compiler"
+ fortran-2_pkg_setup
+ if use openmp; then
+ tc-has-openmp || \
+ die "Please select an openmp capable compiler like gcc[openmp]"
fi
AMBERHOME="${S}"
}
src_prepare() {
- epatch "${FILESDIR}/${P}-bugfix_1-18.patch"
- epatch "${FILESDIR}/${P}-gentoo.patch"
+ epatch \
+ "${FILESDIR}/${P}-bugfix_1-18.patch" \
+ "${FILESDIR}/${P}-gentoo.patch"
cd AmberTools/src
rm -r arpack blas lapack fftw-2.1.5 c9x-complex cifparse netcdf pnetcdf reduce ucpp-1.3 || die
}
diff --git a/sci-chemistry/ambertools/ambertools-1.5.ebuild b/sci-chemistry/ambertools/ambertools-1.5.ebuild
index 776a56f..347c64b 100644
--- a/sci-chemistry/ambertools/ambertools-1.5.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.5.ebuild
@@ -2,11 +2,11 @@
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI="4"
+EAPI=4
-inherit toolchain-funcs eutils
+inherit toolchain-funcs eutils fortran-2
-DESCRIPTION="A suite of programs for carrying out complete molecular mechanics investigations"
+DESCRIPTION="A suite for carrying out complete molecular mechanics investigations"
HOMEPAGE="http://ambermd.org/#AmberTools"
SRC_URI="AmberTools-${PV}.tar.bz2"
@@ -14,6 +14,7 @@ LICENSE="GPL-2"
SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="mpi openmp X"
+
RESTRICT="fetch"
RDEPEND="
@@ -38,21 +39,18 @@ pkg_nofetch() {
}
pkg_setup() {
- if use openmp &&
- [[ $(tc-getCC)$ == *gcc* ]] &&
- ( [[ $(gcc-major-version)$(gcc-minor-version) -lt 42 ]] ||
- ! has_version sys-devel/gcc[openmp] )
- then
- ewarn "You are using gcc and OpenMP is only available with gcc >= 4.2 "
- ewarn "If you want to build ${PN} with OpenMP, abort now,"
- ewarn "and switch CC to an OpenMP capable compiler"
+ fortran-2_pkg_setup
+ if use openmp; then
+ tc-has-openmp || \
+ die "Please select an openmp capable compiler like gcc[openmp]"
fi
AMBERHOME="${S}"
}
src_prepare() {
- epatch "${FILESDIR}/${P}-bugfix_1-3.patch"
- epatch "${FILESDIR}/${P}-gentoo.patch"
+ epatch \
+ "${FILESDIR}/${P}-bugfix_1-3.patch" \
+ "${FILESDIR}/${P}-gentoo.patch"
cd AmberTools/src
rm -r arpack blas lapack fftw-2.1.5 c9x-complex cifparse netcdf pnetcdf reduce ucpp-1.3 || die
}
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-06-23 9:31 Justin Lecher
0 siblings, 0 replies; 19+ messages in thread
From: Justin Lecher @ 2011-06-23 9:31 UTC (permalink / raw
To: gentoo-commits
commit: fb183d44b7509695955d902e955fc66aae427460
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Thu Jun 23 09:27:01 2011 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Thu Jun 23 09:27:01 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=fb183d44
Streamlined fortran-2 eclass usage
(Portage version: 2.2.0_alpha41/git/Linux x86_64, RepoMan options: --force, signed Manifest commit with key 70EB7916)
---
sci-chemistry/ambertools/ChangeLog | 4 ++++
sci-chemistry/ambertools/ambertools-1.4.ebuild | 5 +++--
sci-chemistry/ambertools/ambertools-1.5.ebuild | 5 +++--
3 files changed, 10 insertions(+), 4 deletions(-)
diff --git a/sci-chemistry/ambertools/ChangeLog b/sci-chemistry/ambertools/ChangeLog
index ea945fd..9d1fcad 100644
--- a/sci-chemistry/ambertools/ChangeLog
+++ b/sci-chemistry/ambertools/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 23 Jun 2011; Justin Lecher <jlec@gentoo.org> ambertools-1.4.ebuild,
+ ambertools-1.5.ebuild:
+ Streamlined fortran-2 eclass usage
+
21 Jun 2011; Justin Lecher <jlec@gentoo.org> ambertools-1.4.ebuild,
ambertools-1.5.ebuild:
Added fortran-2.eclass support
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild
index 67e1428..8820dc6 100644
--- a/sci-chemistry/ambertools/ambertools-1.4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.4.ebuild
@@ -4,7 +4,7 @@
EAPI=4
-inherit toolchain-funcs eutils fortran-2
+inherit eutils fortran-2 toolchain-funcs
DESCRIPTION="A suite for carrying out complete molecular mechanics investigations"
HOMEPAGE="http://ambermd.org/#AmberTools"
@@ -24,7 +24,8 @@ RDEPEND="
sci-libs/cifparse-obj
sci-chemistry/mopac7
sci-libs/netcdf
- sci-chemistry/reduce"
+ sci-chemistry/reduce
+ virtual/fortran"
DEPEND="${RDEPEND}
dev-util/byacc
dev-libs/libf2c
diff --git a/sci-chemistry/ambertools/ambertools-1.5.ebuild b/sci-chemistry/ambertools/ambertools-1.5.ebuild
index 347c64b..0788a8d 100644
--- a/sci-chemistry/ambertools/ambertools-1.5.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.5.ebuild
@@ -4,7 +4,7 @@
EAPI=4
-inherit toolchain-funcs eutils fortran-2
+inherit eutils fortran-2 toolchain-funcs
DESCRIPTION="A suite for carrying out complete molecular mechanics investigations"
HOMEPAGE="http://ambermd.org/#AmberTools"
@@ -26,7 +26,8 @@ RDEPEND="
sci-chemistry/mopac7
sci-libs/netcdf
sci-libs/fftw:2.1
- sci-chemistry/reduce"
+ sci-chemistry/reduce
+ virtual/fortran"
DEPEND="${RDEPEND}
dev-util/byacc
dev-libs/libf2c
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-07-28 12:03 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-07-28 12:03 UTC (permalink / raw
To: gentoo-commits
commit: af2d23a6e79abd8092230d1045f9f689a776589b
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Thu Jul 28 12:02:48 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Thu Jul 28 12:02:48 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=af2d23a6
[sci-chemistry/ambertools] Updates for ambertools and gcc-4.6
(Portage version: 2.2.0_alpha47/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.5-r1.ebuild | 140 +++++++++++++++++++++
1 files changed, 140 insertions(+), 0 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild b/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild
new file mode 100644
index 0000000..bebe615
--- /dev/null
+++ b/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild
@@ -0,0 +1,140 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=4
+
+inherit eutils fortran-2 toolchain-funcs
+
+DESCRIPTION="A suite for carrying out complete molecular mechanics investigations"
+HOMEPAGE="http://ambermd.org/#AmberTools"
+SRC_URI="
+ AmberTools-${PV}.tar.bz2
+ mirror://gentoo/${P}-bugfix_1-10.patch.xz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="mpi openmp X"
+
+RESTRICT="fetch"
+
+RDEPEND="
+ virtual/cblas
+ virtual/lapack
+ sci-libs/clapack
+ sci-libs/arpack
+ sci-libs/cifparse-obj
+ sci-chemistry/mopac7
+ sci-libs/netcdf
+ sci-libs/fftw:2.1
+ sci-chemistry/reduce
+ virtual/fortran"
+DEPEND="${RDEPEND}
+ dev-util/byacc
+ dev-libs/libf2c
+ sys-devel/ucpp"
+S="${WORKDIR}/amber11"
+
+pkg_nofetch() {
+ einfo "Go to ${HOMEPAGE} and get ${A}"
+ einfo "Place it in ${DISTDIR}"
+}
+
+pkg_setup() {
+ fortran-2_pkg_setup
+ if use openmp; then
+ tc-has-openmp || \
+ die "Please select an openmp capable compiler like gcc[openmp]"
+ fi
+ AMBERHOME="${S}"
+}
+
+src_prepare() {
+ epatch \
+ "${WORKDIR}/${P}-bugfix_1-3.patch" \
+ "${FILESDIR}/${P}-gentoo.patch"
+ cd AmberTools/src
+ rm -r arpack blas lapack fftw-2.1.5 c9x-complex cifparse netcdf pnetcdf reduce ucpp-1.3 || die
+}
+
+src_configure() {
+ cd AmberTools/src
+ sed -e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \
+ -e "s:\\\\\$(LIBDIR)/lapack.a:$(pkg-config lapack --libs) -lclapack:g" \
+ -e "s:\\\\\$(LIBDIR)/blas.a:$(pkg-config blas cblas --libs):g" \
+ -e "s:\\\\\$(LIBDIR)/libdrfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
+ -e "s:\\\\\$(LIBDIR)/libdfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
+ -e "s:CFLAGS=:CFLAGS=${CFLAGS} -DBINTRAJ :g" \
+ -e "s:FFLAGS=:FFLAGS=${FFLAGS} :g" \
+ -e "s:LDFLAGS=$ldflags:LDFLAGS=${LDFLAGS}:g" \
+ -e "s:fc=g77:fc=$(tc-getFC):g" \
+ -e "s:\$netcdflib:$(pkg-config netcdf --libs):g" \
+ -e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \
+ -e "s:-O3::g" \
+ -i configure || die
+ sed -e "s:arsecond_:arscnd_:g" \
+ -i sff/time.c \
+ -i sff/sff.h \
+ -i sff/sff.c || die
+ sed -e "s:\$(NAB):\$(NAB) -lrfftw:g" \
+ -i nss/Makefile || die
+
+ local myconf
+
+ use X || myconf="${myconf} -noX11"
+
+ for x in mpi openmp; do
+ use ${x} && myconf="${myconf} -${x}"
+ done
+
+ ./configure \
+ ${myconf} \
+ -nobintraj \
+ -nomdgx \
+ -nopython \
+ -nomtkpp \
+ gnu
+# $(expr match "$(tc-getCC)" '.*\([a-z]cc\)')
+}
+
+src_compile() {
+ cd AmberTools/src
+ emake || die
+}
+
+src_install() {
+ rm -r bin/chemistry bin/MMPBSA_mods
+ rm bin/ante-MMPBSA.py bin/extractFrcmod.py
+ for x in bin/*
+ do dobin ${x} || die
+ done
+ rm "${ED}/usr/bin/yacc"
+ dobin AmberTools/src/antechamber/mopac.sh
+ sed -e "s:\$AMBERHOME/bin/mopac:mopac7:g" \
+ -i "${ED}/usr/bin/mopac.sh" || die
+ # Make symlinks untill binpath for amber will be fixed
+ dodir /usr/share/${PN}/bin
+ cd "${ED}/usr/bin"
+ for x in *
+ do dosym /usr/bin/${x} /usr/share/${PN}/bin/${x}
+ done
+ cd "${S}"
+# sed -e "s:\$AMBERHOME/dat:\$AMBERHOME/share/ambertools/dat:g" \
+# -i "${ED}/usr/bin/xleap" \
+# -i "${ED}/usr/bin/tleap" || die
+ dodoc doc/AmberTools.pdf doc/leap_pg.pdf
+ dolib.a lib/*
+ insinto /usr/include/${PN}
+ doins include/*
+ insinto /usr/share/${PN}
+ doins -r dat
+ cd AmberTools
+ doins -r benchmarks
+ doins -r examples
+ doins -r test
+ cat >> "${T}"/99ambertools <<- EOF
+ AMBERHOME="${EPREFIX}/usr/share/ambertools"
+ EOF
+ doenvd "${T}"/99ambertools
+}
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2011-07-28 12:28 Alexey Shvetsov
0 siblings, 0 replies; 19+ messages in thread
From: Alexey Shvetsov @ 2011-07-28 12:28 UTC (permalink / raw
To: gentoo-commits
commit: b579add2961243d89259622f8af0886ff0d76819
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Thu Jul 28 12:27:39 2011 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Thu Jul 28 12:27:39 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=b579add2
[sci-chemistry/ambertools] Fix typo
(Portage version: 2.2.0_alpha47/git/Linux x86_64, signed Manifest commit with key F82F92E6)
---
sci-chemistry/ambertools/ambertools-1.5-r1.ebuild | 2 +-
1 files changed, 1 insertions(+), 1 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild b/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild
index bebe615..da44cf5 100644
--- a/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild
@@ -52,7 +52,7 @@ pkg_setup() {
src_prepare() {
epatch \
- "${WORKDIR}/${P}-bugfix_1-3.patch" \
+ "${WORKDIR}/${P}-bugfix_1-10.patch" \
"${FILESDIR}/${P}-gentoo.patch"
cd AmberTools/src
rm -r arpack blas lapack fftw-2.1.5 c9x-complex cifparse netcdf pnetcdf reduce ucpp-1.3 || die
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2012-10-27 17:32 Reinis Danne
0 siblings, 0 replies; 19+ messages in thread
From: Reinis Danne @ 2012-10-27 17:32 UTC (permalink / raw
To: gentoo-commits
commit: 4379517864dfbf89bbf5281fd9ae63811eabadd0
Author: Reinis Danne <rei4dan <AT> gmail <DOT> com>
AuthorDate: Sat Oct 27 17:30:13 2012 +0000
Commit: Reinis Danne <rei4dan <AT> gmail <DOT> com>
CommitDate: Sat Oct 27 17:30:13 2012 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=43795178
ambertools: export AMBERHOME in ebuild
---
sci-chemistry/ambertools/ambertools-12.ebuild | 2 +-
1 files changed, 1 insertions(+), 1 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-12.ebuild b/sci-chemistry/ambertools/ambertools-12.ebuild
index 5b5a3db..0a64bf0 100644
--- a/sci-chemistry/ambertools/ambertools-12.ebuild
+++ b/sci-chemistry/ambertools/ambertools-12.ebuild
@@ -47,7 +47,7 @@ pkg_setup() {
tc-has-openmp || \
die "Please select an openmp capable compiler like gcc[openmp]"
fi
- AMBERHOME="${S}"
+ export AMBERHOME="${S}"
}
src_prepare() {
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2012-11-08 9:39 Justin Lecher
0 siblings, 0 replies; 19+ messages in thread
From: Justin Lecher @ 2012-11-08 9:39 UTC (permalink / raw
To: gentoo-commits
commit: be906dc4f12734d826960858b788e9a10358d320
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Thu Nov 8 09:38:19 2012 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Thu Nov 8 09:38:19 2012 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=be906dc4
sci-chemistry/ambertools: Add another fix for blas/lapack
Package-Manager: portage-2.2.0_alpha142
RepoMan-Options: --force
---
sci-chemistry/ambertools/ChangeLog | 8 ++++++++
sci-chemistry/ambertools/ambertools-12.ebuild | 5 ++++-
sci-chemistry/ambertools/metadata.xml | 1 -
3 files changed, 12 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/ambertools/ChangeLog b/sci-chemistry/ambertools/ChangeLog
index fb9077d..9799e43 100644
--- a/sci-chemistry/ambertools/ChangeLog
+++ b/sci-chemistry/ambertools/ChangeLog
@@ -2,6 +2,14 @@
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ambertools/ChangeLog,v 1.2 2011/08/02 14:42:37 alexxy Exp $
+ 08 Nov 2012; Justin Lecher <jlec@gentoo.org> ambertools-12.ebuild,
+ metadata.xml:
+ Add another fix for blas/lapack
+
+ 08 Nov 2012; Justin Lecher <jlec@gentoo.org> ambertools-12.ebuild,
+ metadata.xml:
+ Add another fix for blas/lapack
+
21 Oct 2012; Reinis Danne <rei4dan@gmail.com> ambertools-12.ebuild,
files/ambertools-12-gentoo.patch:
Fix parallel tests.
diff --git a/sci-chemistry/ambertools/ambertools-12.ebuild b/sci-chemistry/ambertools/ambertools-12.ebuild
index 0a64bf0..ea7dfdb 100644
--- a/sci-chemistry/ambertools/ambertools-12.ebuild
+++ b/sci-chemistry/ambertools/ambertools-12.ebuild
@@ -71,9 +71,12 @@ src_prepare() {
src_configure() {
cd "${S}"/AmberTools/src
- sed -e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \
+ sed \
+ -e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \
-e "s:\\\\\$(LIBDIR)/lapack.a:$(pkg-config lapack --libs) -lclapack:g" \
+ -e "s:-llapack:$(pkg-config lapack --libs) -lclapack:g" \
-e "s:\\\\\$(LIBDIR)/blas.a:$(pkg-config blas cblas --libs):g" \
+ -e "s:-lblas:$(pkg-config blas cblas --libs):g" \
-e "s:GENTOO_CFLAGS:${CFLAGS} -DBINTRAJ :g" \
-e "s:GENTOO_CXXFLAGS:${CXXFLAGS}:g" \
-e "s:GENTOO_FFLAGS:${FFLAGS}:g" \
diff --git a/sci-chemistry/ambertools/metadata.xml b/sci-chemistry/ambertools/metadata.xml
index 20e218e..b2558d8 100644
--- a/sci-chemistry/ambertools/metadata.xml
+++ b/sci-chemistry/ambertools/metadata.xml
@@ -7,4 +7,3 @@
<name>Alexey Shvetsov</name>
</maintainer>
</pkgmetadata>
-
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2013-02-22 10:15 Justin Lecher
0 siblings, 0 replies; 19+ messages in thread
From: Justin Lecher @ 2013-02-22 10:15 UTC (permalink / raw
To: gentoo-commits
commit: a46118186e3f3adf51cb1ae454fe64b5123ae4a4
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Fri Feb 22 10:13:21 2013 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Feb 22 10:13:21 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=a4611818
sci-chemistry/ambertools: Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config
Package-Manager: portage-2.2.0_alpha163
RepoMan-Options: --force
---
sci-chemistry/ambertools/ChangeLog | 7 ++++++-
sci-chemistry/ambertools/ambertools-1.5-r2.ebuild | 8 ++++----
sci-chemistry/ambertools/ambertools-1.5-r3.ebuild | 8 ++++----
sci-chemistry/ambertools/ambertools-1.5-r4.ebuild | 8 ++++----
sci-chemistry/ambertools/ambertools-12.ebuild | 14 +++++++-------
sci-chemistry/ambertools/metadata.xml | 10 +++++-----
6 files changed, 30 insertions(+), 25 deletions(-)
diff --git a/sci-chemistry/ambertools/ChangeLog b/sci-chemistry/ambertools/ChangeLog
index 9799e43..ebc92f2 100644
--- a/sci-chemistry/ambertools/ChangeLog
+++ b/sci-chemistry/ambertools/ChangeLog
@@ -1,7 +1,12 @@
# ChangeLog for sci-chemistry/ambertools
-# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ambertools/ChangeLog,v 1.2 2011/08/02 14:42:37 alexxy Exp $
+ 22 Feb 2013; Justin Lecher <jlec@gentoo.org> ambertools-1.5-r2.ebuild,
+ ambertools-1.5-r3.ebuild, ambertools-1.5-r4.ebuild, ambertools-12.ebuild,
+ metadata.xml:
+ Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config
+
08 Nov 2012; Justin Lecher <jlec@gentoo.org> ambertools-12.ebuild,
metadata.xml:
Add another fix for blas/lapack
diff --git a/sci-chemistry/ambertools/ambertools-1.5-r2.ebuild b/sci-chemistry/ambertools/ambertools-1.5-r2.ebuild
index 39413fd..a042b34 100644
--- a/sci-chemistry/ambertools/ambertools-1.5-r2.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.5-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2011 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild,v 1.2 2011/08/02 14:42:37 alexxy Exp $
@@ -73,8 +73,8 @@ src_prepare() {
src_configure() {
cd "${S}"/AmberTools/src
sed -e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \
- -e "s:\\\\\$(LIBDIR)/lapack.a:$(pkg-config lapack --libs) -lclapack:g" \
- -e "s:\\\\\$(LIBDIR)/blas.a:$(pkg-config blas cblas --libs):g" \
+ -e "s:\\\\\$(LIBDIR)/lapack.a:$($(tc-getPKG_CONFIG) lapack --libs) -lclapack:g" \
+ -e "s:\\\\\$(LIBDIR)/blas.a:$($(tc-getPKG_CONFIG) blas cblas --libs):g" \
-e "s:\\\\\$(LIBDIR)/libdrfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
-e "s:\\\\\$(LIBDIR)/libdfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
-e "s:GENTOO_CFLAGS:${CFLAGS} -DBINTRAJ :g" \
@@ -82,7 +82,7 @@ src_configure() {
-e "s:GENTOO_FFLAGS:${FFLAGS}:g" \
-e "s:GENTOO_LDFLAGS:${LDFLAGS}:g" \
-e "s:fc=g77:fc=$(tc-getFC):g" \
- -e "s:\$netcdflib:$(pkg-config netcdf --libs):g" \
+ -e "s:\$netcdflib:$($(tc-getPKG_CONFIG) netcdf --libs):g" \
-e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \
-i configure || die
sed -e "s:arsecond_:arscnd_:g" \
diff --git a/sci-chemistry/ambertools/ambertools-1.5-r3.ebuild b/sci-chemistry/ambertools/ambertools-1.5-r3.ebuild
index 44bd059..c1aff5e 100644
--- a/sci-chemistry/ambertools/ambertools-1.5-r3.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.5-r3.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2012 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild,v 1.2 2011/08/02 14:42:37 alexxy Exp $
@@ -75,8 +75,8 @@ src_prepare() {
src_configure() {
cd "${S}"/AmberTools/src
sed -e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \
- -e "s:\\\\\$(LIBDIR)/lapack.a:$(pkg-config lapack --libs) -lclapack:g" \
- -e "s:\\\\\$(LIBDIR)/blas.a:$(pkg-config blas cblas --libs):g" \
+ -e "s:\\\\\$(LIBDIR)/lapack.a:$($(tc-getPKG_CONFIG) lapack --libs) -lclapack:g" \
+ -e "s:\\\\\$(LIBDIR)/blas.a:$($(tc-getPKG_CONFIG) blas cblas --libs):g" \
-e "s:\\\\\$(LIBDIR)/libdrfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
-e "s:\\\\\$(LIBDIR)/libdfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
-e "s:GENTOO_CFLAGS:${CFLAGS} -DBINTRAJ :g" \
@@ -84,7 +84,7 @@ src_configure() {
-e "s:GENTOO_FFLAGS:${FFLAGS}:g" \
-e "s:GENTOO_LDFLAGS:${LDFLAGS}:g" \
-e "s:fc=g77:fc=$(tc-getFC):g" \
- -e "s:\$netcdflib:$(pkg-config netcdf --libs):g" \
+ -e "s:\$netcdflib:$($(tc-getPKG_CONFIG) netcdf --libs):g" \
-e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \
-i configure || die
sed -e "s:arsecond_:arscnd_:g" \
diff --git a/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild b/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild
index d689579..4765d2a 100644
--- a/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2012 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ambertools/ambertools-1.5-r1.ebuild,v 1.2 2011/08/02 14:42:37 alexxy Exp $
@@ -76,8 +76,8 @@ src_prepare() {
src_configure() {
cd "${S}"/AmberTools/src
sed -e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \
- -e "s:\\\\\$(LIBDIR)/lapack.a:$(pkg-config lapack --libs) -lclapack:g" \
- -e "s:\\\\\$(LIBDIR)/blas.a:$(pkg-config blas cblas --libs):g" \
+ -e "s:\\\\\$(LIBDIR)/lapack.a:$($(tc-getPKG_CONFIG) lapack --libs) -lclapack:g" \
+ -e "s:\\\\\$(LIBDIR)/blas.a:$($(tc-getPKG_CONFIG) blas cblas --libs):g" \
-e "s:\\\\\$(LIBDIR)/libdrfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
-e "s:\\\\\$(LIBDIR)/libdfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \
-e "s:GENTOO_CFLAGS:${CFLAGS} -DBINTRAJ :g" \
@@ -85,7 +85,7 @@ src_configure() {
-e "s:GENTOO_FFLAGS:${FFLAGS}:g" \
-e "s:GENTOO_LDFLAGS:${LDFLAGS}:g" \
-e "s:fc=g77:fc=$(tc-getFC):g" \
- -e "s:\$netcdflib:$(pkg-config netcdf --libs):g" \
+ -e "s:\$netcdflib:$($(tc-getPKG_CONFIG) netcdf --libs):g" \
-e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \
-i configure || die
sed -e "s:arsecond_:arscnd_:g" \
diff --git a/sci-chemistry/ambertools/ambertools-12.ebuild b/sci-chemistry/ambertools/ambertools-12.ebuild
index ea7dfdb..8b7fcbb 100644
--- a/sci-chemistry/ambertools/ambertools-12.ebuild
+++ b/sci-chemistry/ambertools/ambertools-12.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2012 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
@@ -73,18 +73,18 @@ src_configure() {
cd "${S}"/AmberTools/src
sed \
-e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \
- -e "s:\\\\\$(LIBDIR)/lapack.a:$(pkg-config lapack --libs) -lclapack:g" \
- -e "s:-llapack:$(pkg-config lapack --libs) -lclapack:g" \
- -e "s:\\\\\$(LIBDIR)/blas.a:$(pkg-config blas cblas --libs):g" \
- -e "s:-lblas:$(pkg-config blas cblas --libs):g" \
+ -e "s:\\\\\$(LIBDIR)/lapack.a:$($(tc-getPKG_CONFIG) lapack --libs) -lclapack:g" \
+ -e "s:-llapack:$($(tc-getPKG_CONFIG) lapack --libs) -lclapack:g" \
+ -e "s:\\\\\$(LIBDIR)/blas.a:$($(tc-getPKG_CONFIG) blas cblas --libs):g" \
+ -e "s:-lblas:$($(tc-getPKG_CONFIG) blas cblas --libs):g" \
-e "s:GENTOO_CFLAGS:${CFLAGS} -DBINTRAJ :g" \
-e "s:GENTOO_CXXFLAGS:${CXXFLAGS}:g" \
-e "s:GENTOO_FFLAGS:${FFLAGS}:g" \
-e "s:GENTOO_LDFLAGS:${LDFLAGS}:g" \
-e "s:GENTOO_INCLUDE:${EPREFIX}/usr/include:g" \
- -e "s:GENTOO_FFTW3_LIBS:$(pkg-config fftw3 --libs):" \
+ -e "s:GENTOO_FFTW3_LIBS:$($(tc-getPKG_CONFIG) fftw3 --libs):" \
-e "s:fc=g77:fc=$(tc-getFC):g" \
- -e "s:\$netcdfflag:$(pkg-config netcdf --libs):g" \
+ -e "s:\$netcdfflag:$($(tc-getPKG_CONFIG) netcdf --libs):g" \
-e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \
-i configure2 || die
sed -e "s:arsecond_:arscnd_:g" \
diff --git a/sci-chemistry/ambertools/metadata.xml b/sci-chemistry/ambertools/metadata.xml
index b2558d8..13ef0bf 100644
--- a/sci-chemistry/ambertools/metadata.xml
+++ b/sci-chemistry/ambertools/metadata.xml
@@ -1,9 +1,9 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
- <herd>sci-chemistry</herd>
- <maintainer>
- <email>alexxy@gentoo.org</email>
- <name>Alexey Shvetsov</name>
- </maintainer>
+ <herd>sci-chemistry</herd>
+ <maintainer>
+ <email>alexxy@gentoo.org</email>
+ <name>Alexey Shvetsov</name>
+ </maintainer>
</pkgmetadata>
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2013-03-03 17:52 Justin Lecher
0 siblings, 0 replies; 19+ messages in thread
From: Justin Lecher @ 2013-03-03 17:52 UTC (permalink / raw
To: gentoo-commits
commit: af7ac5ef99aa48ebd7e289f8eb3d36597c4c077e
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Sun Mar 3 17:47:06 2013 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Sun Mar 3 17:47:06 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=af7ac5ef
sci-chemistry/ambertools: Add missing multilib.eclass
Package-Manager: portage-2.2.0_alpha164
RepoMan-Options: --force
---
sci-chemistry/ambertools/ChangeLog | 3 +++
sci-chemistry/ambertools/ambertools-1.5-r4.ebuild | 2 +-
2 files changed, 4 insertions(+), 1 deletions(-)
diff --git a/sci-chemistry/ambertools/ChangeLog b/sci-chemistry/ambertools/ChangeLog
index d7e45a4..f4d3a9d 100644
--- a/sci-chemistry/ambertools/ChangeLog
+++ b/sci-chemistry/ambertools/ChangeLog
@@ -2,6 +2,9 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ambertools/ChangeLog,v 1.2 2011/08/02 14:42:37 alexxy Exp $
+ 03 Mar 2013; Justin Lecher <jlec@gentoo.org> ambertools-1.5-r4.ebuild:
+ Add missing multilib.eclass
+
03 Mar 2013; Justin Lecher <jlec@gentoo.org> -ambertools-1.5-r2.ebuild,
-ambertools-1.5-r3.ebuild, ambertools-12.ebuild:
Add missing multilib.eclass
diff --git a/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild b/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild
index 4765d2a..2ac4b2f 100644
--- a/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild
+++ b/sci-chemistry/ambertools/ambertools-1.5-r4.ebuild
@@ -4,7 +4,7 @@
EAPI=4
-inherit eutils fortran-2 toolchain-funcs
+inherit eutils fortran-2 multilib toolchain-funcs
DESCRIPTION="A suite for carrying out complete molecular mechanics investigations"
HOMEPAGE="http://ambermd.org/#AmberTools"
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2013-06-28 16:11 Christoph Junghans
0 siblings, 0 replies; 19+ messages in thread
From: Christoph Junghans @ 2013-06-28 16:11 UTC (permalink / raw
To: gentoo-commits
commit: 0994964c80c8cfc95089e054806257946f72c5a7
Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
AuthorDate: Fri Jun 28 16:07:01 2013 +0000
Commit: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
CommitDate: Fri Jun 28 16:11:38 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=0994964c
fixed deps
Package-Manager: portage-2.2.0_alpha185
RepoMan-Options: --force
---
sci-chemistry/ambertools/ChangeLog | 4 +++-
sci-chemistry/ambertools/ambertools-12.ebuild | 2 +-
2 files changed, 4 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/ambertools/ChangeLog b/sci-chemistry/ambertools/ChangeLog
index f4d3a9d..c46b0af 100644
--- a/sci-chemistry/ambertools/ChangeLog
+++ b/sci-chemistry/ambertools/ChangeLog
@@ -2,6 +2,9 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ambertools/ChangeLog,v 1.2 2011/08/02 14:42:37 alexxy Exp $
+ 28 Jun 2013; Christoph Junghans <ottxor@gentoo.org> ambertools-12.ebuild:
+ fixed deps
+
03 Mar 2013; Justin Lecher <jlec@gentoo.org> ambertools-1.5-r4.ebuild:
Add missing multilib.eclass
@@ -69,4 +72,3 @@
28 Jul 2011; Alexey Shvetsov <alexxy@gentoo.org> +ambertools-1.5-r1.ebuild,
+files/ambertools-1.5-gentoo.patch, +metadata.xml:
Initial import to tree
-
diff --git a/sci-chemistry/ambertools/ambertools-12.ebuild b/sci-chemistry/ambertools/ambertools-12.ebuild
index 70ea7f3..8324296 100644
--- a/sci-chemistry/ambertools/ambertools-12.ebuild
+++ b/sci-chemistry/ambertools/ambertools-12.ebuild
@@ -26,7 +26,7 @@ RDEPEND="
sci-libs/cifparse-obj
sci-chemistry/mopac7
sci-libs/netcdf
- sci-libs/fftw:3.0
+ >=sci-libs/fftw-3.3:3.0
sci-chemistry/reduce"
DEPEND="${RDEPEND}
app-shells/tcsh
^ permalink raw reply related [flat|nested] 19+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/
@ 2016-01-22 8:15 Justin Lecher
0 siblings, 0 replies; 19+ messages in thread
From: Justin Lecher @ 2016-01-22 8:15 UTC (permalink / raw
To: gentoo-commits
commit: 1219b4dd29cdb183677c9e15a8d766a383f80770
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Fri Jan 22 08:15:50 2016 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Jan 22 08:15:50 2016 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=1219b4dd
sci-chemistry/ambertools: Fix symlinken in bin dir
Package-Manager: portage-2.2.27
Signed-off-by: Justin Lecher <jlec <AT> gentoo.org>
.../{ambertools-12_p38.ebuild => ambertools-12_p38-r1.ebuild} | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/sci-chemistry/ambertools/ambertools-12_p38.ebuild b/sci-chemistry/ambertools/ambertools-12_p38-r1.ebuild
similarity index 97%
rename from sci-chemistry/ambertools/ambertools-12_p38.ebuild
rename to sci-chemistry/ambertools/ambertools-12_p38-r1.ebuild
index 1c907c4..e6beea2 100644
--- a/sci-chemistry/ambertools/ambertools-12_p38.ebuild
+++ b/sci-chemistry/ambertools/ambertools-12_p38-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2016 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Id$
@@ -144,8 +144,8 @@ src_install() {
# Make symlinks untill binpath for amber will be fixed
dodir /usr/share/${PN}/bin
cd "${ED}/usr/bin" || die
- for x in *
- do dosym /usr/bin/${x} ../share/${PN}/bin/${x}
+ for x in *; do
+ dosym ../../../bin/${x} /usr/share/${PN}/bin/${x}
done
cd "${S}" || die
^ permalink raw reply related [flat|nested] 19+ messages in thread
end of thread, other threads:[~2016-01-22 8:16 UTC | newest]
Thread overview: 19+ messages (download: mbox.gz follow: Atom feed
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2012-10-27 17:32 [gentoo-commits] proj/sci:master commit in: sci-chemistry/ambertools/ Reinis Danne
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2016-01-22 8:15 Justin Lecher
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2011-07-28 12:28 Alexey Shvetsov
2011-07-28 12:03 Alexey Shvetsov
2011-06-23 9:31 Justin Lecher
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2011-03-15 10:23 Justin Lecher
2011-03-07 18:34 Alexey Shvetsov
2011-03-07 18:28 Alexey Shvetsov
2011-03-07 18:23 Alexey Shvetsov
2011-03-07 18:20 Alexey Shvetsov
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