Date: Mon, 3 Sep 2018 17:51:33 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r478886 - in head/science: . siesta Message-ID: <201809031751.w83HpXSO084445@repo.freebsd.org>
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Author: yuri Date: Mon Sep 3 17:51:32 2018 New Revision: 478886 URL: https://svnweb.freebsd.org/changeset/ports/478886 Log: New port: science/siesta: Program to perform efficient electronic structure calculations Added: head/science/siesta/ head/science/siesta/Makefile (contents, props changed) head/science/siesta/distinfo (contents, props changed) head/science/siesta/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Mon Sep 3 17:48:23 2018 (r478885) +++ head/science/Makefile Mon Sep 3 17:51:32 2018 (r478886) @@ -244,6 +244,7 @@ SUBDIR += rubygem-rgeo-shapefile SUBDIR += rubygem-ruby-dcl SUBDIR += rubygem-ruby-netcdf + SUBDIR += siesta SUBDIR += sigrok-cli SUBDIR += sigrok-firmware SUBDIR += sigrok-firmware-fx2lafw Added: head/science/siesta/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/siesta/Makefile Mon Sep 3 17:51:32 2018 (r478886) @@ -0,0 +1,34 @@ +# $FreeBSD$ + +PORTNAME= siesta +DISTVERSION= 4.0.2 +CATEGORIES= science +MASTER_SITES= https://launchpad.net/${PORTNAME}/${DISTVERSION:R}/${DISTVERSION}/+download/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Program to perform efficient electronic structure calculations + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/../COPYING + +LIB_DEPENDS= libblas.so:math/blas \ + liblapack.so:math/lapack + +USES= fortran gmake localbase:ldflags +GNU_CONFIGURE= yes +CONFIGURE_SCRIPT= ../Src/configure +ALL_TARGET= default + +WRKSRC_SUBDIR= Obj + +MAKE_JOBS_UNSAFE= yes + +PLIST_FILES= bin/${PORTNAME} + +pre-configure: + @cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ${SH} ../Src/obj_setup.sh + +do-install: + ${INSTALL_PROGRAM} ${WRKSRC}/${PORTNAME} ${STAGEDIR}${PREFIX}/bin + +.include <bsd.port.mk> Added: head/science/siesta/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/siesta/distinfo Mon Sep 3 17:51:32 2018 (r478886) @@ -0,0 +1,3 @@ +TIMESTAMP = 1535956967 +SHA256 (siesta-4.0.2.tar.gz) = bafbda19358f0c1dd39bb1253c92ee548791a1c0f648977051d2657216874f7e +SIZE (siesta-4.0.2.tar.gz) = 9627717 Added: head/science/siesta/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/siesta/pkg-descr Mon Sep 3 17:51:32 2018 (r478886) @@ -0,0 +1,10 @@ +SIESTA is both a method and its computer program implementation, to perform +efficient electronic structure calculations and ab initio molecular dynamics +simulations of molecules and solids. SIESTA's efficiency stems from the use of +strictly localized basis sets and from the implementation of linear-scaling +algorithms which can be applied to suitable systems. A very important feature +of the code is that its accuracy and cost can be tuned in a wide range, from +quick exploratory calculations to highly accurate simulations matching the +quality of other approaches, such as plane-wave and all-electron methods. + +WWW: https://departments.icmab.es/leem/siesta/
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