89 lines
3.3 KiB
Makefile
89 lines
3.3 KiB
Makefile
PORTNAME= gamess
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DISTVERSION= 20181013
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PORTREVISION= 7
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CATEGORIES= science
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PKGNAMESUFFIX= -us # "US" fork
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DISTNAME= gamess-current
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= General Atomic and Molecular Electronic Structure System (US)
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LICENSE= GAMESS_LICENSE
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LICENSE_NAME= GAMESS User License Agreement
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LICENSE_FILE= ${FILESDIR}/license.txt
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LICENSE_PERMS= # none
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ONLY_FOR_ARCHS= amd64 i386
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ONLY_FOR_ARCHS_REASON= only implemented for 64 and 32 bit Intel architectures
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BROKEN_i386= Integer too big for its kind at (1) (in file quanpo.f:16518:34)
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USES= fortran gmake
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WRKSRC= ${WRKDIR}/gamess
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BINARY_ALIAS= gcc=${CC} gfortran=gfortran${GCC_DEFAULT}
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GAMES_VERNO= 00
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GAMES_ENV= GMS_PATH=${WRKSRC} GMS_BUILD_DIR=${WRKSRC} GMS_TARGET=${ARCH:S/amd64/linux64/:S/i386/linux32/} \
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GMS_FORTRAN=gfortran GMS_GFORTRAN_VERNO=7.3 \
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GMS_VERSION=${GAMES_VERNO} GMS_BUILD_PATH=${WRKSRC} \
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GMS_OPENMP=false GMS_BG_MODEL="" GMS_SUN_OS_VERNO="" GMS_MAC_OSX_VERNO="" \
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GMS_IFORT_VERNO="" GMS_SUN_FORT_VERNO="" GMS_L64_OPT="" GMS_MATHLIB="${GMS_MATHLIB}" GMS_MATHLIB_PATH=${LOCALBASE}/lib \
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GMS_MKL_VERNO="" GMS_DDI_COMM="sockets" GMS_MPI_LIB="" GMS_MPI_PATH="" GMS_MVAPICH2_VERNO="" \
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GMS_OFED_PATH="" GMS_ARMCI_PATH="" GMS_MSUCC="" GMS_LIBCCHEM="" GMS_PHI="" GMS_SHMTYPE="posix"
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PLIST_SUB+= GAMES_VERNO=${GAMES_VERNO}
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SUB_LIST+= GAMES_VERNO=${GAMES_VERNO}
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SUB_FILES= pkg-message
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OPTIONS_RADIO= MATHLIB
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OPTIONS_RADIO_MATHLIB= ATLAS OPENBLAS
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OPTIONS_DEFAULT= OPENBLAS
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MATHLIB_DESC= Math library
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ATLAS_VARS= GMS_MATHLIB=atlas
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ATLAS_LIB_DEPENDS= libatlas.so:math/atlas
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OPENBLAS_VARS= GMS_MATHLIB=openblas
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OPENBLAS_LIB_DEPENDS= libopenblas.so:math/openblas
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.include <bsd.port.pre.mk>
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# Check for gamess sources and prompt how to download them
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.if !exists(${DISTDIR}/${DISTNAME}${EXTRACT_SUFX})
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IGNORE= license restrictions require registration and manual fetching of the distribution\
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source. Please visit https://www.msg.chem.iastate.edu/gamess/License_Agreement.html\
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with a browser. You will be required to agree to the license terms, enter your e-mail\
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address, check any box under "Source Code Distributions", and submit your download request.\
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Once you download the file ${DISTFILES}, please put it into ${DISTDIR}/${DISTFILES} and\
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run 'make' again
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.endif
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do-configure:
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@cd ${WRKSRC} && \
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${SETENV} ${MAKE_ENV} ${GAMES_ENV} ./config
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do-build:
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@cd ${WRKSRC}/ddi && ${SETENV} ${MAKE_ENV} ./compddi && ${MV} ddikick.x ..
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@cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ./compall
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@cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ./lked gamess ${GAMES_VERNO}
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do-install:
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${INSTALL_SCRIPT} ${WRKSRC}/rungms ${STAGEDIR}${PREFIX}/bin
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@${REINPLACE_CMD} -i '' 's|^set GMSPATH=.*|set GMSPATH=${DATADIR}|' ${STAGEDIR}${PREFIX}/bin/rungms
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@${MKDIR} ${STAGEDIR}${DATADIR}
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${INSTALL_PROGRAM} ${WRKSRC}/gamess.${GAMES_VERNO}.x ${STAGEDIR}${DATADIR}
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${INSTALL_PROGRAM} ${WRKSRC}/ddikick.x ${STAGEDIR}${DATADIR}
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${INSTALL_SCRIPT} ${WRKSRC}/gms-files.csh ${STAGEDIR}${DATADIR}
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@${MKDIR} ${STAGEDIR}${DATADIR}/tools
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${INSTALL_SCRIPT} ${WRKSRC}/tools/remd.csh ${STAGEDIR}${DATADIR}/tools/remd.csh
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cd ${WRKSRC} && ${COPYTREE_SHARE} auxdata ${STAGEDIR}${DATADIR}/
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do-test:
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@${REINPLACE_CMD} -i '' 's|^set GMSPATH=.*|set GMSPATH=${WRKSRC}|' ${WRKSRC}/rungms
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@cd ${WRKSRC} && \
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${MKDIR} ../gamess-devv && \
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${SETENV} ${MAKE_ENV} ./runall ${GAMES_VERNO} && \
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${SETENV} ${MAKE_ENV} tests/standard/checktst
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.include <bsd.port.post.mk>
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