Attachment #237331 for bug #267078

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PORTNAME=	libgridxc
DISTVERSION=	0.10.1
CATEGORIES=	science
MASTER_SITES=	https://gitlab.com/siesta-project/libraries/${PORTNAME}/uploads/3c396bbafcbf20a38d34fb92bb90c211/
DISTNAME=	${PORTNAME}-${PORTNAME}-${DISTVERSION}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Library to compute the exchange and correlation energy and potentials

LICENSE=	BSD3CLAUSE
LICENSE_FILE=	${WRKSRC}/COPYING

USES=		fortran gmake libtool
USE_LDCONFIG=	yes

GNU_CONFIGURE=	yes

INSTALL_TARGET=	install-strip

OPTIONS_DEFINE=		MPI LIBXC
OPTIONS_DEFAULT=	MPI LIBXC
OPTIONS_SUB=		yes

MPI_USES=		localbase:ldflags
MPI_CONFIGURE_WITH=	mpi=${LOCALBASE}
MPI_VARS=		FCFLAGS+="-I${LOCALBASE}/include -fallow-argument-mismatch" LDFLAGS+="-L${LOCALBASE}/lib -lmpifort"
MPI_LDFLAGS=		-lmpich
MPI_LIB_DEPENDS=	libmpich.so:net/mpich
MPI_BROKEN=		https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/15

LIBXC_DESC=		Use libxc for exchange-correlation functionals for DFT
LIBXC_CONFIGURE_WITH=	libxc=${LOCALBASE}
LIBXC_VARS=		FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90"
LIBXC_LIB_DEPENDS=	libxc.so:science/libxc
LIBXC_BROKEN=		https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/16

.include <bsd.port.mk>

Lines 1-3 Link Here

(-)b/science/libgridxc/distinfo (-3 / +3 lines)
1	TIMESTAMP = 1619224742	1	TIMESTAMP = 1665837326
2	SHA256 (libgridxc-libgridxc-0.9.6.tar.gz) = 3b89ccc02d65729ea2d7cb291ae1d9b53acd65c1fd144e8846362cffb71b114a	2	SHA256 (libgridxc-0.10.1.tar.gz) = 9af37179c182409ae51df90fb686a946650deca187944d521d30d3ce8a1f1af7
3	SIZE (libgridxc-libgridxc-0.9.6.tar.gz) = 278448	3	SIZE (libgridxc-0.10.1.tar.gz) = 704681

Lines 14-16 lib/libgridxc.so.0 Link Here

(-)b/science/libgridxc/pkg-plist (+1 lines)
14	lib/libgridxc.so.0.0.0	14	lib/libgridxc.so.0.0.0
15	libdata/pkgconfig/libgridxc.pc	15	libdata/pkgconfig/libgridxc.pc
16	share/org.siesta-project/gridxc.mk	16	share/org.siesta-project/gridxc.mk
		17	%%LIBXC%%share/org.siesta-project/libxc.mk

Return to bug 267078

Lines 1-8 Link Here

(-)b/science/libgridxc/Makefile (-8 / +6 lines)
1	PORTNAME= libgridxc	1	PORTNAME= libgridxc
2	DISTVERSION= 0.9.6	2	DISTVERSION= 0.10.1
3	CATEGORIES= science	3	CATEGORIES= science
4	MASTER_SITES= https://gitlab.com/siesta-project/libraries/${PORTNAME}/-/archive/${PORTNAME}-${DISTVERSION}/	4	MASTER_SITES= https://gitlab.com/siesta-project/libraries/${PORTNAME}/uploads/3c396bbafcbf20a38d34fb92bb90c211/
5	DISTNAME= ${PORTNAME}-${PORTNAME}-${DISTVERSION}
6		5
7	MAINTAINER= yuri@FreeBSD.org	6	MAINTAINER= yuri@FreeBSD.org
8	COMMENT= Library to compute the exchange and correlation energy and potentials	7	COMMENT= Library to compute the exchange and correlation energy and potentials
Lines 11-17 WWW= https://gitlab.com/siesta-project/libraries/libgridxc Link Here
11	LICENSE= BSD3CLAUSE	10	LICENSE= BSD3CLAUSE
12	LICENSE_FILE= ${WRKSRC}/COPYING	11	LICENSE_FILE= ${WRKSRC}/COPYING
13		12
14	USES= autoreconf fortran gmake libtool	13	USES= fortran gmake libtool
15	USE_LDCONFIG= yes	14	USE_LDCONFIG= yes
16		15
17	GNU_CONFIGURE= yes	16	GNU_CONFIGURE= yes
Lines 19-37 GNU_CONFIGURE= yes Link Here
19	INSTALL_TARGET= install-strip	18	INSTALL_TARGET= install-strip
20		19
21	OPTIONS_DEFINE= MPI LIBXC	20	OPTIONS_DEFINE= MPI LIBXC
22	OPTIONS_DEFAULT= # MPI LIBXC	21	OPTIONS_DEFAULT= MPI LIBXC
		22	OPTIONS_SUB= yes
23		23
24	MPI_USES= localbase:ldflags	24	MPI_USES= localbase:ldflags
25	MPI_CONFIGURE_WITH= mpi=${LOCALBASE}	25	MPI_CONFIGURE_WITH= mpi=${LOCALBASE}
26	MPI_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lmpifort"	26	MPI_VARS= FCFLAGS+="-I${LOCALBASE}/include -fallow-argument-mismatch" LDFLAGS+="-L${LOCALBASE}/lib -lmpifort"
27	MPI_LDFLAGS= -lmpich	27	MPI_LDFLAGS= -lmpich
28	MPI_LIB_DEPENDS= libmpich.so:net/mpich	28	MPI_LIB_DEPENDS= libmpich.so:net/mpich
29	MPI_BROKEN= https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/15
30		29
31	LIBXC_DESC= Use libxc for exchange-correlation functionals for DFT	30	LIBXC_DESC= Use libxc for exchange-correlation functionals for DFT
32	LIBXC_CONFIGURE_WITH= libxc=${LOCALBASE}	31	LIBXC_CONFIGURE_WITH= libxc=${LOCALBASE}
33	LIBXC_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90"	32	LIBXC_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90"
34	LIBXC_LIB_DEPENDS= libxc.so:science/libxc	33	LIBXC_LIB_DEPENDS= libxc.so:science/libxc
35	LIBXC_BROKEN= https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/16
36		34
37	.include <bsd.port.mk>	35	.include <bsd.port.mk>