From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from lists.gentoo.org (pigeon.gentoo.org [208.92.234.80]) by finch.gentoo.org (Postfix) with ESMTP id 9265A138A1C for ; Wed, 12 Nov 2014 15:51:37 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 4460AE0A02; Wed, 12 Nov 2014 15:51:35 +0000 (UTC) Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) (using TLSv1.2 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id D4228E0A02 for ; Wed, 12 Nov 2014 15:51:34 +0000 (UTC) Received: from oystercatcher.gentoo.org (oystercatcher.gentoo.org [148.251.78.52]) (using TLSv1.2 with cipher AECDH-AES256-SHA (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 9625A34045F for ; Wed, 12 Nov 2014 15:51:33 +0000 (UTC) Received: from localhost.localdomain (localhost [127.0.0.1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id 3C7D69FEA for ; Wed, 12 Nov 2014 15:51:32 +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: <1415807477.349ef1d72386ebf8a47e63e6e97974f50c205ec7.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-r1.ebuild sci-chemistry/nwchem/nwchem-6.5_p26243.ebuild X-VCS-Directories: sci-chemistry/nwchem/ X-VCS-Committer: honza_machacek X-VCS-Committer-Name: Honza Macháček X-VCS-Revision: 349ef1d72386ebf8a47e63e6e97974f50c205ec7 X-VCS-Branch: master Date: Wed, 12 Nov 2014 15:51:32 +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: 3dd3a281-a1ec-4165-bd74-36d66efa588e X-Archives-Hash: a835a6ab32e56be175d87424b433d3ba commit: 349ef1d72386ebf8a47e63e6e97974f50c205ec7 Author: Honza Macháček centrum cz> AuthorDate: Wed Nov 12 15:51:17 2014 +0000 Commit: Honza Macháček centrum cz> CommitDate: Wed Nov 12 15:51:17 2014 +0000 URL: http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=349ef1d7 Handling of 32-bit versus 64-bit integers in sci-chemistry/nwchem-6.5_p26243-r1 corrected. Package-Manager: portage-2.2.14 --- sci-chemistry/nwchem/ChangeLog | 7 ++++ ...5_p26243.ebuild => nwchem-6.5_p26243-r1.ebuild} | 37 ++++++++++++++-------- 2 files changed, 30 insertions(+), 14 deletions(-) diff --git a/sci-chemistry/nwchem/ChangeLog b/sci-chemistry/nwchem/ChangeLog index a9461ce..df19a21 100644 --- a/sci-chemistry/nwchem/ChangeLog +++ b/sci-chemistry/nwchem/ChangeLog @@ -2,6 +2,13 @@ # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*nwchem-6.5_p26243-r1 (12 Nov 2014) + + 12 Nov 2014; Honza Macháček + -nwchem-6.5_p26243.ebuild, +nwchem-6.5_p26243-r1.ebuild: + Handling of 32-bit versus 64-bit integers in + sci-chemistry/nwchem-6.5_p26243-r1 corrected. + *nwchem-6.5_p26243 (11 Nov 2014) 11 Nov 2014; Honza Macháček diff --git a/sci-chemistry/nwchem/nwchem-6.5_p26243.ebuild b/sci-chemistry/nwchem/nwchem-6.5_p26243-r1.ebuild similarity index 92% rename from sci-chemistry/nwchem/nwchem-6.5_p26243.ebuild rename to sci-chemistry/nwchem/nwchem-6.5_p26243-r1.ebuild index 8013233..3926d49 100644 --- a/sci-chemistry/nwchem/nwchem-6.5_p26243.ebuild +++ b/sci-chemistry/nwchem/nwchem-6.5_p26243-r1.ebuild @@ -30,7 +30,9 @@ IUSE="blas cuda infiniband lapack mpi doc examples int64 nwchem-tests openmp mrc REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} ) infiniband? ( mpi ) - scalapack? ( !int64 )" + scalapack? ( !int64 ) + lapack? ( blas ) + scalapack? ( blas )" RDEPEND=" sys-fs/sysfsutils @@ -182,19 +184,9 @@ src_compile() { export CCSDTQ="TRUE" export CCSDTLR="TRUE" unset BLASOPT - use blas && BLASOPT="$(pkg-config --libs blas)" - use lapack && BLASOPT+="$(pkg-config --libs lapack)" - use scalapack && BLASOPT+="$(pkg-config --libs scalapack)" - export BLASOPT - if use int64; then - BLAS_SIZE=8 - LAPACK_SIZE=8 - SCALAPACK_SIZE=8 - else - BLAS_SIZE=4 - LAPACK_SIZE=4 - SCALAPACK_SIZE=4 - fi + use blas && export BLASOPT="$(pkg-config --libs blas)" + use lapack && export BLASOPT+="$(pkg-config --libs lapack)" + use scalapack && export BLASOPT+="$(pkg-config --libs scalapack)" if use cuda; then export TCE_CUDA=Y export CUDA_PATH=/opt/cuda @@ -206,6 +198,23 @@ src_compile() { export LARGE_FILES="TRUE" cd src + if use int64; then + export BLAS_SIZE=8 + export LAPACK_SIZE=8 + export SCALAPACK_SIZE=8 + else + export BLAS_SIZE=4 + export LAPACK_SIZE=4 + export SCALAPACK_SIZE=4 + export USE_64TO32=y + emake \ + DIAG=PAR \ + FC=$(tc-getFC) \ + CC=$(tc-getCC) \ + CXX=$(tc-getCXX) \ + NWCHEM_TOP="${S}" \ + 64_to_32 + fi emake \ DIAG=PAR \ FC=$(tc-getFC) \