From owner-svn-ports-head@freebsd.org Tue Sep 4 15:05:21 2018 Return-Path: Delivered-To: svn-ports-head@mailman.ysv.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.ysv.freebsd.org (Postfix) with ESMTP id 57F2AFF201C; Tue, 4 Sep 2018 15:05:21 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 0EA797327E; Tue, 4 Sep 2018 15:05:21 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org (repo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:0]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id 098BA189E3; Tue, 4 Sep 2018 15:05:21 +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 w84F5K1o042639; Tue, 4 Sep 2018 15:05:20 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id w84F5J2I042634; Tue, 4 Sep 2018 15:05:19 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201809041505.w84F5J2I042634@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Tue, 4 Sep 2018 15:05:19 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r478966 - in head: . science science/atom science/atom/files X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head: . science science/atom science/atom/files X-SVN-Commit-Revision: 478966 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: 2.1.27 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: Tue, 04 Sep 2018 15:05:21 -0000 Author: yuri Date: Tue Sep 4 15:05:19 2018 New Revision: 478966 URL: https://svnweb.freebsd.org/changeset/ports/478966 Log: New port: science/atom: Program for DFT calculations in atoms Added: head/science/atom/ head/science/atom/Makefile (contents, props changed) head/science/atom/distinfo (contents, props changed) head/science/atom/files/ head/science/atom/files/patch-arch.make.sample (contents, props changed) head/science/atom/pkg-descr (contents, props changed) Modified: head/LEGAL head/science/Makefile Modified: head/LEGAL ============================================================================== --- head/LEGAL Tue Sep 4 15:03:13 2018 (r478965) +++ head/LEGAL Tue Sep 4 15:05:19 2018 (r478966) @@ -238,3 +238,4 @@ sas2ircu-* sysutils/sas2ircu May not be redistributed snes9x-* emulators/snes9x-gtk Commercial users must seek permission from copyright holders. rainloop-1.*.zip mail/rainloop Redistribution in any form is prohibited lha-114i.tar.gz archivers/lha Binary only redistribution is prohibited. Non-network redistribution such as CDROM requires prior notification to author. Commercial use whose main purpose is to provide the functions of this program is prohibited. +atom-*.tgz science/atom Redistribution in any form is prohibited Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Tue Sep 4 15:03:13 2018 (r478965) +++ head/science/Makefile Tue Sep 4 15:05:19 2018 (r478966) @@ -26,6 +26,7 @@ SUBDIR += afni SUBDIR += aircraft-datcom SUBDIR += antioch + SUBDIR += atom SUBDIR += atompaw SUBDIR += avogadro SUBDIR += bddsolve Added: head/science/atom/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/atom/Makefile Tue Sep 4 15:05:19 2018 (r478966) @@ -0,0 +1,39 @@ +# $FreeBSD$ + +PORTNAME= atom +DISTVERSION= 4.2.7-100 +CATEGORIES= science +MASTER_SITES= https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/ \ + https://departments.icmab.es/leem/siesta/Pseudopotentials/:lic +DISTFILES= ${DISTNAME}${EXTRACT_SUFX} atom_licence.html:lic +EXTRACT_ONLY= ${DISTNAME}${EXTRACT_SUFX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Program for DFT calculations in atoms + +LICENSE= ATOM_LICENSE +LICENSE_NAME= ATOM ACADEMIC LICENCE +LICENSE_FILE= ${DISTDIR}/atom_licence.html +LICENSE_PERMS= no-dist-mirror no-pkg-mirror no-pkg-mirror no-pkg-sell no-auto-accept + +LIB_DEPENDS= libGridXC.so:science/libgridxc \ + libxc.so:science/libxc \ + libxmlf90.so:textproc/xmlf90 + +USES= fortran gmake tar:tgz + +MAKE_ENV= XMLF90_ROOT=${LOCALBASE} GRIDXC_ROOT=${LOCALBASE} LIBXC_ROOT=${LOCALBASE} +MAKE_ARGS= FC=gfortran${GCC_DEFAULT} LDFLAGS="${LDFLAGS}" +ALL_TARGET= default + +PLIST_FILES= bin/atm + +NO_PACKAGE= Redistribution in any form is prohibited + +post-patch: + @${CP} ${WRKSRC}/arch.make.sample ${WRKSRC}/arch.make + +do-install: + ${INSTALL_PROGRAM} ${WRKSRC}/atm ${STAGEDIR}${PREFIX}/bin/ + +.include Added: head/science/atom/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/atom/distinfo Tue Sep 4 15:05:19 2018 (r478966) @@ -0,0 +1,5 @@ +TIMESTAMP = 1536071684 +SHA256 (atom-4.2.7-100.tgz) = 266a4119e64ca398444df7bc2f5004513891f2189cba33595a1742c64f8f3edc +SIZE (atom-4.2.7-100.tgz) = 260386 +SHA256 (atom_licence.html) = 93cc2ed5498d47c5439fcf45ea1501e4e0cadb8197aefc6235ecedd36c849d93 +SIZE (atom_licence.html) = 5673 Added: head/science/atom/files/patch-arch.make.sample ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/atom/files/patch-arch.make.sample Tue Sep 4 15:05:19 2018 (r478966) @@ -0,0 +1,11 @@ +--- arch.make.sample.orig 2018-09-04 08:05:21 UTC ++++ arch.make.sample +@@ -20,7 +20,7 @@ ARCH=macosx-gfortran + # installation trees and use the appropriate path to the .mk file. + # + include $(XMLF90_ROOT)/share/org.siesta-project/xmlf90.mk +-include $(GRIDXC_ROOT)/gridxc.mk ++include $(GRIDXC_ROOT)/share/mk/gridxc.mk + # + # -----Compiler-dependent settings ------------------------------------- + # Added: head/science/atom/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/atom/pkg-descr Tue Sep 4 15:05:19 2018 (r478966) @@ -0,0 +1,4 @@ +ATOM, a program for DFT calculations in atoms and pseudopotential +generation, maintained by Alberto Garcia. + +WWW: https://departments.icmab.es/leem/siesta/