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Wed, 24 Feb 2021 07:39:08 +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 11O7d8SX095289; Wed, 24 Feb 2021 07:39:08 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id 11O7d7si095285; Wed, 24 Feb 2021 07:39:07 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <202102240739.11O7d7si095285@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Wed, 24 Feb 2021 07:39:07 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r566452 - in head/science: . libecpint X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . libecpint X-SVN-Commit-Revision: 566452 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-head@freebsd.org X-Mailman-Version: 2.1.34 Precedence: list List-Id: SVN commit messages for the ports tree for head List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Wed, 24 Feb 2021 07:39:08 -0000 Author: yuri Date: Wed Feb 24 07:39:06 2021 New Revision: 566452 URL: https://svnweb.freebsd.org/changeset/ports/566452 Log: New port: science/libecpint: Library for the evaluation of integrals over effective core potentials Added: head/science/libecpint/ head/science/libecpint/Makefile (contents, props changed) head/science/libecpint/distinfo (contents, props changed) head/science/libecpint/pkg-descr (contents, props changed) head/science/libecpint/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Wed Feb 24 06:59:28 2021 (r566451) +++ head/science/Makefile Wed Feb 24 07:39:06 2021 (r566452) @@ -121,6 +121,7 @@ SUBDIR += libccp4 SUBDIR += libcint SUBDIR += libctl + SUBDIR += libecpint SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libghemical Added: head/science/libecpint/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libecpint/Makefile Wed Feb 24 07:39:06 2021 (r566452) @@ -0,0 +1,31 @@ +# $FreeBSD$ + +PORTNAME= libecpint +DISTVERSIONPREFIX= v +DISTVERSION= 1.0.5 +CATEGORIES= science devel + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Library for the evaluation of integrals over effective core potentials + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libpugixml.so:textproc/pugixml + +USES= cmake compiler:c++11-lang +USE_LDCONFIG= yes + +USE_GITHUB= yes +GH_ACCOUNT= robashaw + +CMAKE_ON= BUILD_SHARED_LIBS +CMAKE_OFF= LIBECPINT_BUILD_TESTS LIBECPINT_BUILD_DOCS + +do-test: + @cd ${BUILD_WRKSRC} && \ + ${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DLIBECPINT_BUILD_TESTS:BOOL=ON ${CMAKE_SOURCE_PATH} && \ + ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \ + ctest + +.include Added: head/science/libecpint/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libecpint/distinfo Wed Feb 24 07:39:06 2021 (r566452) @@ -0,0 +1,3 @@ +TIMESTAMP = 1614151277 +SHA256 (robashaw-libecpint-v1.0.5_GH0.tar.gz) = 3ad5ff342b1bc870f5992c296e8bd8aa590c21a9b14333958c601f8916d6f532 +SIZE (robashaw-libecpint-v1.0.5_GH0.tar.gz) = 1313876 Added: head/science/libecpint/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libecpint/pkg-descr Wed Feb 24 07:39:06 2021 (r566452) @@ -0,0 +1,7 @@ +Libecpint is a C++ library for the efficient evaluation of integrals over +ab initio effective core potentials, using a mixture of generated, recursive +code and Gauss-Chebyshev quadrature. It is designed to be standalone and +generic, and is now in its first stable release. If you experience any problems +please raise an issue here; contributions and suggestions are also welcome. + +WWW: https://github.com/robashaw/libecpint Added: head/science/libecpint/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libecpint/pkg-plist Wed Feb 24 07:39:06 2021 (r566452) @@ -0,0 +1,35 @@ +include/libecpint.hpp +include/libecpint/angular.hpp +include/libecpint/api.hpp +include/libecpint/bessel.hpp +include/libecpint/config.hpp +include/libecpint/config.hpp.in +include/libecpint/ecp.hpp +include/libecpint/ecpint.hpp +include/libecpint/gaussquad.hpp +include/libecpint/gshell.hpp +include/libecpint/mathutil.hpp +include/libecpint/multiarr.hpp +include/libecpint/qgen.hpp +include/libecpint/radial.hpp +lib/cmake/ecpint/ecpint-config-version.cmake +lib/cmake/ecpint/ecpint-config.cmake +lib/cmake/ecpint/ecpint-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/ecpint/ecpint-targets.cmake +lib/libFaddeeva.so +lib/libFaddeeva.so.1 +lib/libecpint.so +lib/libecpint.so.1 +%%DATADIR%%/parseecp.py +%%DATADIR%%/raw/ecp10mdf.ecp +%%DATADIR%%/raw/ecp28mdf.ecp +%%DATADIR%%/raw/ecp46mdf.ecp +%%DATADIR%%/raw/ecp60mdf.ecp +%%DATADIR%%/raw/ecp78mdf.ecp +%%DATADIR%%/raw/lanl2dz.ecp +%%DATADIR%%/xml/ecp10mdf.xml +%%DATADIR%%/xml/ecp28mdf.xml +%%DATADIR%%/xml/ecp46mdf.xml +%%DATADIR%%/xml/ecp60mdf.xml +%%DATADIR%%/xml/ecp78mdf.xml +%%DATADIR%%/xml/lanl2dz.xml