freebsd-ports/science/libgridxc/Makefile

PORTNAME=	libgridxc
DISTVERSION=	1.1.0
PORTREVISION=	1
CATEGORIES=	science
MASTER_SITES=	https://gitlab.com/siesta-project/libraries/${PORTNAME}/-/archive/${DISTVERSION}/

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Library to compute the exchange and correlation energy and potentials
WWW=		https://gitlab.com/siesta-project/libraries/libgridxc

LICENSE=	BSD3CLAUSE
LICENSE_FILE=	${WRKSRC}/COPYING

USES=		cmake fortran pkgconfig
USE_LDCONFIG=	yes

CMAKE_ON=	BUILD_SHARED_LIBS

OPTIONS_SINGLE=		MPI
OPTIONS_SINGLE_MPI=	NOMPI MPICH OPENMPI
OPTIONS_DEFINE=		LIBXC
OPTIONS_DEFAULT=	LIBXC MPICH
OPTIONS_SUB=		yes

NOMPI_DESC=		Build without parallel processing support

MPICH_USES=		mpi:mpich
MPICH_CMAKE_ON=		-DWITH_MPI=ON
MPICH_VARS=		FFLAGS+=-fallow-argument-mismatch

OPENMPI_USES=		mpi:openmpi
OPENMPI_CMAKE_ON=	-DWITH_MPI=ON
OPENMPI_VARS=		FFLAGS+=-fallow-argument-mismatch

LIBXC_DESC=		Use libxc for exchange-correlation functionals for DFT
LIBXC_CMAKE_BOOL=	WITH_LIBXC
LIBXC_VARS=		FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90"
LIBXC_LIB_DEPENDS=	libxc.so:science/libxc

.include <bsd.port.mk>
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00			`PORTNAME= libgridxc`
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`DISTVERSION= 1.1.0`
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 2023-04-23 11:09:58 +02:00			`PORTREVISION= 1`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00			`CATEGORIES= science`
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`MASTER_SITES= https://gitlab.com/siesta-project/libraries/${PORTNAME}/-/archive/${DISTVERSION}/`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00
			`MAINTAINER= yuri@FreeBSD.org`
			`COMMENT= Library to compute the exchange and correlation energy and potentials`
Add WWW entries to port Makefiles It has been common practice to have one or more URLs at the end of the ports' pkg-descr files, one per line and prefixed with "WWW:". These URLs should point at a project website or other relevant resources. Access to these URLs required processing of the pkg-descr files, and they have often become stale over time. If more than one such URL was present in a pkg-descr file, only the first one was tarnsfered into the port INDEX, but for many ports only the last line did contain the port specific URL to further information. There have been several proposals to make a project URL available as a macro in the ports' Makefiles, over time. This commit implements such a proposal and moves one of the WWW: entries of each pkg-descr file into the respective port's Makefile. A heuristic attempts to identify the most relevant URL in case there is more than one WWW: entry in some pkg-descr file. URLs that are not moved into the Makefile are prefixed with "See also:" instead of "WWW:" in the pkg-descr files in order to preserve them. There are 1256 ports that had no WWW: entries in pkg-descr files. These ports will not be touched in this commit. The portlint port has been adjusted to expect a WWW entry in each port Makefile, and to flag any remaining "WWW:" lines in pkg-descr files as deprecated. Approved by: portmgr (tcberner) 2022-09-07 23:06:12 +02:00			`WWW= https://gitlab.com/siesta-project/libraries/libgridxc`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00
			`LICENSE= BSD3CLAUSE`
science/libgridxc: Update 0.8.5 -> 0.9.6 Project moved to GitLab. 2021-04-24 03:27:32 +02:00			`LICENSE_FILE= ${WRKSRC}/COPYING`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`USES= cmake fortran pkgconfig`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00			`USE_LDCONFIG= yes`

science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`CMAKE_ON= BUILD_SHARED_LIBS`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`OPTIONS_SINGLE= MPI`
			`OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI`
			`OPTIONS_DEFINE= LIBXC`
			`OPTIONS_DEFAULT= LIBXC MPICH`
			`OPTIONS_SUB= yes`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`NOMPI_DESC= Build without parallel processing support`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`MPICH_USES= mpi:mpich`
			`MPICH_CMAKE_ON= -DWITH_MPI=ON`
			`MPICH_VARS= FFLAGS+=-fallow-argument-mismatch`

			`OPENMPI_USES= mpi:openmpi`
			`OPENMPI_CMAKE_ON= -DWITH_MPI=ON`
			`OPENMPI_VARS= FFLAGS+=-fallow-argument-mismatch`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00
			`LIBXC_DESC= Use libxc for exchange-correlation functionals for DFT`
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) 2023-01-04 16:55:01 +01:00			`LIBXC_CMAKE_BOOL= WITH_LIBXC`
science/libgridxc: Update 0.8.5 -> 0.9.6 Project moved to GitLab. 2021-04-24 03:27:32 +02:00			`LIBXC_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90"`
New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 17:03:13 +02:00			`LIBXC_LIB_DEPENDS= libxc.so:science/libxc`

science/libgridxc: Update 0.8.5 -> 0.9.6 Project moved to GitLab. 2021-04-24 03:27:32 +02:00			`.include <bsd.port.mk>`