Date: Tue, 4 Sep 2018 15:05:19 +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: r478966 - in head: . science science/atom science/atom/files Message-ID: <201809041505.w84F5J2I042634@repo.freebsd.org>
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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 <bsd.port.mk> 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/
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