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Mon, 5 Jan 2015 16:18:39 +0000 (UTC) From: "Honza Macháček" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Honza Macháček" Message-ID: <1420474696.6c5c8cd609d14bdd32cd87ece2b7a0383a34d2e2.honza_machacek@gentoo> Subject: [gentoo-commits] proj/sci:master commit in: sci-chemistry/nwchem/ X-VCS-Repository: proj/sci X-VCS-Files: sci-chemistry/nwchem/ChangeLog sci-chemistry/nwchem/nwchem-6.5_p26243-r3.ebuild sci-chemistry/nwchem/nwchem-6.5_p26243-r4.ebuild X-VCS-Directories: sci-chemistry/nwchem/ X-VCS-Committer: honza_machacek X-VCS-Committer-Name: Honza Macháček X-VCS-Revision: 6c5c8cd609d14bdd32cd87ece2b7a0383a34d2e2 X-VCS-Branch: master Date: Mon, 5 Jan 2015 16:18:39 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org X-Archives-Salt: 88704cb7-fda1-4c30-8c75-536420500f8b X-Archives-Hash: cd9b062c14b40e89d05304102d536b30 commit: 6c5c8cd609d14bdd32cd87ece2b7a0383a34d2e2 Author: Honza Macháček centrum cz> AuthorDate: Mon Jan 5 16:18:16 2015 +0000 Commit: Honza Macháček centrum cz> CommitDate: Mon Jan 5 16:18:16 2015 +0000 URL: http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=6c5c8cd6 2 new upstream patches of sci-chemistry/nwchem-6.5_p26243 added, USE_NOIO unset (disables semidirect calculations, introduced by mistake) Package-Manager: portage-2.2.15 --- sci-chemistry/nwchem/ChangeLog | 9 ++++++++- .../{nwchem-6.5_p26243-r3.ebuild => nwchem-6.5_p26243-r4.ebuild} | 9 +++++---- 2 files changed, 13 insertions(+), 5 deletions(-) diff --git a/sci-chemistry/nwchem/ChangeLog b/sci-chemistry/nwchem/ChangeLog index c88a1d3..21a81b9 100644 --- a/sci-chemistry/nwchem/ChangeLog +++ b/sci-chemistry/nwchem/ChangeLog @@ -1,7 +1,14 @@ # ChangeLog for sci-chemistry/nwchem -# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*nwchem-6.5_p26243-r4 (05 Jan 2015) + + 05 Jan 2015; Honza Macháček + -nwchem-6.5_p26243-r3.ebuild, +nwchem-6.5_p26243-r4.ebuild: + 2 new upstream patches added, USE_NOIO unset (disables semidirect + calculations, introduced by mistake) + *nwchem-6.5_p26243-r3 (17 Dec 2014) 17 Dec 2014; Honza Macháček diff --git a/sci-chemistry/nwchem/nwchem-6.5_p26243-r3.ebuild b/sci-chemistry/nwchem/nwchem-6.5_p26243-r4.ebuild similarity index 96% rename from sci-chemistry/nwchem/nwchem-6.5_p26243-r3.ebuild rename to sci-chemistry/nwchem/nwchem-6.5_p26243-r4.ebuild index 77dfb13..f740f4a 100644 --- a/sci-chemistry/nwchem/nwchem-6.5_p26243-r3.ebuild +++ b/sci-chemistry/nwchem/nwchem-6.5_p26243-r4.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2014 Gentoo Foundation +# Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ @@ -21,7 +21,9 @@ SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV%_p*}.revision${PV#*_p}-src. http://www.nwchem-sw.org/images/Makefile_gcc4x.patch.gz http://www.nwchem-sw.org/images/Bcast_ccsd.patch.gz http://www.nwchem-sw.org/images/Elpa_syncs.patch.gz - http://www.nwchem-sw.org/images/Xlmpoles_ifort15.patch.gz" + http://www.nwchem-sw.org/images/Xlmpoles_ifort15.patch.gz + http://www.nwchem-sw.org/images/Ifort15_fpp_offload.patch.gz + http://www.nwchem-sw.org/images/Texas_iorb.patch.gz" LICENSE="ECL-2.0" SLOT="0" @@ -107,7 +109,7 @@ src_unpack() { src_prepare() { pushd "${S}"/src - for p in Util_md_sockets Hbar Tcenxtask Parallelmpi Makefile_gcc4x Bcast_ccsd Elpa_syncs Xlmpoles_ifort15 + for p in Util_md_sockets Hbar Tcenxtask Parallelmpi Makefile_gcc4x Bcast_ccsd Elpa_syncs Xlmpoles_ifort15 Ifort15_fpp_offload Texas_iorb do epatch "${WORKDIR}"/"${p}.patch" done cd NWints/hondo @@ -137,7 +139,6 @@ src_prepare() { src_compile() { export NWCHEM_LONG_PATHS=Y - export USE_NOIO=TRUE use openmp && export USE_OPENMP=1 export USE_MPI=y export USE_MPIF=y