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PORTNAME= dalton
DISTVERSION= 2020.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Powerful molecular electronic structure program for quantum chemistry
LICENSE= LGPL21
LIB_DEPENDS= liblapack.so:math/lapack \
libopenblas.so:math/openblas
RUN_DEPENDS= bash:shells/bash
USES= cmake:noninja fortran python:build shebangfix
SHEBANG_FILES= dalton.in
USE_GITLAB= yes
GL_COMMIT= 66052b3af5ea7225e31178bf9a8b031913c72190
GL_TUPLE= bingao:gen1int:1e4148ecd676761b3399801acba443925a1fee6b:gen1int/external/gen1int \
pe-software:pelib-public:cf49a6e04fdca09af6245fb68a36d20b68552ace:pelib/external/pelib
USE_GITHUB= nodefault
GH_TUPLE= cstein:qfitlib:1acdc9863fdeae2cdbc7f5a599413257a095b8ad:qfitlib/external/qfitlib
BINARY_ALIAS= python=${PYTHON_CMD}
post-install:
@${MV} ${STAGEDIR}${PREFIX}/${PORTNAME} ${STAGEDIR}${DATADIR}
@${REINPLACE_CMD} -i '' 's|%%SCRIPT_DIR%%|${DATADIR}|; s|%%PREFIX%%|${PREFIX}|' ${STAGEDIR}${DATADIR}/${PORTNAME}
@${MV} ${STAGEDIR}${DATADIR}/${PORTNAME}* ${STAGEDIR}${PREFIX}/bin/
@cd ${STAGEDIR}${DATADIR}/tools && ${STRIP_CMD} aces2dalton distances FChk2HES labread xyz2dalton
@cd ${STAGEDIR}${DATADIR} && ${RM} -r tools/CMakeFiles tools/Makefile tools/cmake_install.cmake
.include <bsd.port.mk>
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