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# $FreeBSD$
PORTNAME= atom
DISTVERSION= 4.2.7-100
PORTREVISION= 2
CATEGORIES= science
MASTER_SITES= https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/ \
https://departments.icmab.es/leem/siesta/Pseudopotentials/:lic
PKGNAMESUFFIX= -chemistry
DISTFILES= ${DISTNAME}${EXTRACT_SUFX} atom_licence.html:lic
DIST_SUBDIR= ${PORTNAME}${PKGNAMESUFFIX}
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= ${DISTDIR}/${DIST_SUBDIR}/atom_licence.html
LICENSE_PERMS= # none
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="${LDFLAGS}"
ALL_TARGET= default
PLIST_FILES= bin/atm
post-patch:
@${CP} ${WRKSRC}/arch.make.sample ${WRKSRC}/arch.make
do-install:
${INSTALL_PROGRAM} ${WRKSRC}/atm ${STAGEDIR}${PREFIX}/bin/
.include <bsd.port.mk>
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