DELTA 454100 0 25
SVN §-§B
 + ƒ šefpENDREP
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SVN  ƒeƒg€ƒeƒe# $FreeBSD$

PORTNAME=	libefp
DISTVERSION=	1.4.2
CATEGORIES=	science

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Effective fragment potential method in quantum chemistry

LICENSE=	BSD2CLAUSE
LICENSE_FILE=	${WRKSRC}/LICENSE

USES=		cmake:outsource
USE_GITHUB=	yes
GH_ACCOUNT=	ilyak
USE_LDCONFIG=	yes

CMAKE_ARGS+=	-DBUILD_SHARED_LIBS:BOOL=ON
CMAKE_ARGS+=	-DENABLE_XHOST:BOOL=OFF
CMAKE_ARGS+=	-DFRAGLIB_DEEP:BOOL=OFF # configuration in dependencies fails without this

.include <bsd.port.mk>
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SVN  02€00TIMESTAMP = 1510556535
SHA256 (ilyak-libefp-1.4.2_GH0.tar.gz) = 23138eef66d9fbbd0da31b3130dff693cd91aab00daa78c2883147584142d594
SIZE (ilyak-libefp-1.4.2_GH0.tar.gz) = 5613674
ENDREP
DELTA
SVN  ƒrƒt€ƒrƒrLIBEFP is a full implementation of the Effective Fragment Potential (EFP)
method (EFP can be viewed as an advanced first-principles-based force-field,
see Kaliman et al., JCC, 2013). LIBEFP facilitates extension of unique
electronic structure methodologies designed for accurate simulations in the
gas phase to condensed phases via QM/EFP. LIBEFP is designed to give developers
of quantum chemistry software an easy way to add EFP support to their favourite
package.

WWW: https://libefp.github.io
ENDREP
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