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Thu, 17 Jan 2019 09:40:25 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org ([127.0.1.37]) by repo.freebsd.org (8.15.2/8.15.2) with ESMTP id x0H9ePbc097292; Thu, 17 Jan 2019 09:40:25 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id x0H9eOsr097290; Thu, 17 Jan 2019 09:40:24 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201901170940.x0H9eOsr097290@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Thu, 17 Jan 2019 09:40:24 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r490535 - head/science/erkale X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: head/science/erkale X-SVN-Commit-Revision: 490535 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-Rspamd-Queue-Id: 841EB848A1 X-Spamd-Bar: -- Authentication-Results: mx1.freebsd.org X-Spamd-Result: default: False [-2.93 / 15.00]; local_wl_from(0.00)[FreeBSD.org]; NEURAL_HAM_MEDIUM(-1.00)[-0.999,0]; NEURAL_HAM_SHORT(-0.93)[-0.929,0]; ASN(0.00)[asn:11403, ipnet:2610:1c1:1::/48, country:US]; NEURAL_HAM_LONG(-1.00)[-0.999,0] X-BeenThere: svn-ports-all@freebsd.org X-Mailman-Version: 2.1.29 Precedence: list List-Id: SVN commit messages for the ports tree List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Thu, 17 Jan 2019 09:40:26 -0000 Author: yuri Date: Thu Jan 17 09:40:24 2019 New Revision: 490535 URL: https://svnweb.freebsd.org/changeset/ports/490535 Log: science/erkale: Update 0927d8c -> 0c285c1 Port changes: * Add the standard location for erkale's pseudopotentials. * Add pkg-message suggesting to install erkale-pseudopotentials Added: head/science/erkale/pkg-message (contents, props changed) Modified: head/science/erkale/Makefile head/science/erkale/distinfo Modified: head/science/erkale/Makefile ============================================================================== --- head/science/erkale/Makefile Thu Jan 17 09:33:46 2019 (r490534) +++ head/science/erkale/Makefile Thu Jan 17 09:40:24 2019 (r490535) @@ -1,8 +1,7 @@ # $FreeBSD$ PORTNAME= erkale -DISTVERSION= g20181121 -PORTREVISION= 4 +DISTVERSION= g20190114 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -29,12 +28,13 @@ serial_PKGNAMESUFFIX= -serial USES= cmake:noninja fortran pkgconfig USE_GITHUB= yes GH_ACCOUNT= susilehtola -GH_TAGNAME= 0927d8c +GH_TAGNAME= 0c285c1 USE_LDCONFIG= yes TEST_TARGET= test CMAKE_ON= BUILD_SHARED_LIBS +CMAKE_ARGS= -DERKALE_SYSTEM_LIBRARY=${DATADIR}/basis PLIST_SUB= SUFFIX="${SUFFIX}" @@ -58,7 +58,7 @@ NETLIB_LIB_DEPENDS= libcblas.so:math/cblas OPENBLAS_USES= blaslapack:openblas OPENBLAS_CMAKE_ON= -DLAPACK_LIBRARIES:STRING=-lopenblas -DBLAS_LIBRARIES:STRING=-lopenblasp -xOPENBLAS_BROKEN= hits the number of threads limit: https://github.com/xianyi/OpenBLAS/issues/1882 +OPENBLAS_BROKEN= hits the number of threads limit: https://github.com/xianyi/OpenBLAS/issues/1882 # use clang from ports because cmake can't find OpenMP with base clang, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=223678 # have the same compiler for both serial and parallel flavors so that performance numbers can be compared Modified: head/science/erkale/distinfo ============================================================================== --- head/science/erkale/distinfo Thu Jan 17 09:33:46 2019 (r490534) +++ head/science/erkale/distinfo Thu Jan 17 09:40:24 2019 (r490535) @@ -1,3 +1,3 @@ -TIMESTAMP = 1542835027 -SHA256 (susilehtola-erkale-g20181121-0927d8c_GH0.tar.gz) = d5b76b05e8b3cbb2abe688e5f493abc61102cc41daa5d6ac65563384b6c4c6c0 -SIZE (susilehtola-erkale-g20181121-0927d8c_GH0.tar.gz) = 109987868 +TIMESTAMP = 1547713662 +SHA256 (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = ac8703a7f56caf06a887dfb082b7dda896637f52279305e0ea3a606733af74f3 +SIZE (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = 111334148 Added: head/science/erkale/pkg-message ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erkale/pkg-message Thu Jan 17 09:40:24 2019 (r490535) @@ -0,0 +1,7 @@ +====================================================================== +You installed Erkale: a quantum chemistry program used to solve the +electronic structure of atoms. + +Most likely you also need to install erkale-pseudopotentials, a set of +pseudopotential files needed for almost every Erkale operation. +======================================================================