PORTNAME=	atompaw
DISTVERSION=	4.2.0.3
PORTREVISION=	3
CATEGORIES=	science
MASTER_SITES=	http://users.wfu.edu/natalie/papers/pwpaw/

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Tool for projector augmented wave functions for molecular simulations
WWW=		https://users.wfu.edu/natalie/papers/pwpaw/

BROKEN=		fails to build, interpolation_mod.F90:19:8: Fatal Error: Cannot open module file 'io_tools.mod' for reading at (1): No such file or directory
DEPRECATED=	fails to build, interpolation_mod.F90:19:8: Fatal Error: Cannot open module file 'io_tools.mod' for reading at (1): No such file or directory
EXPIRATION_DATE=2026-03-19

LICENSE=	GPLv3
LICENSE_FILE=	${WRKSRC}/COPYING

LIB_DEPENDS=	liblapack.so:math/lapack \
		libblas.so:math/blas

USES=		fortran gmake libtool
GNU_CONFIGURE=	yes
CONFIGURE_ARGS=	--with-linalg-prefix=${LOCALBASE}

OPTIONS_DEFINE=		DOCS LIBXC
OPTIONS_DEFAULT=	LIBXC

LIBXC_DESC=		Build with libxc
LIBXC_CONFIGURE_ENABLE=	libxc
LIBXC_LIB_DEPENDS=	libxc.so:science/libxc

PORTDOCS=	*

PLIST_FILES=	bin/atompaw \
		bin/graphatom

.include <bsd.port.mk>