Mark Linimon
d12c65d386
Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/CHARACTER(*)). PR: 246700 Approved by: maintainer
81 lines
2.8 KiB
Makefile
81 lines
2.8 KiB
Makefile
# $FreeBSD$
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PORTNAME= dftbplus
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DISTVERSION= 19.1
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PORTREVISION= 1
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CATEGORIES= science
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= DFTB+: Package for performing fast atomistic simulations
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LICENSE= GPLv3 # main code is under LGPL3+, the bundled dftd3-lib is under GPLv1+, this makes the result GPLv3 (based on https://www.gnu.org/licenses/gpl-faq.html#AllCompatibility)
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BROKEN_powerpc64= fails to compile: lbfgs.f90:18:19: Cannot find an intrinsic module named 'ieee_arithmetic' at (1)
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LIB_DEPENDS= libblas.so:math/blas \
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liblapack.so:math/lapack
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RUN_DEPENDS= ${PYNUMPY}
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USES= compiler:gcc-c++11-lib fortran gmake python shebangfix
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SHEBANG_FILES= tools/dptools/bin/* tools/misc/* utils/srcmanip/* utils/build/* external/fypp/bin/* utils/get_opt_externals \
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external/fypp/bin/fypp utils/test/testlist_to_fypp test/prog/dftb+/bin/tagdiff
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SHEBANG_GLOB= *.py
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USE_GITHUB= yes
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GH_TUPLE= dftbplus:mpifx:099ff75:mpifx/external/mpifx/origin \
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dftbplus:scalapackfx:86cd6e4:scalapackfx/external/scalapackfx/origin \
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dftbplus:dftd3-lib:00504a9:dftd3/external/dftd3/origin \
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dftbplus:testparams:1601609:testparams/external/slakos/origin
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MAKEFILE= makefile
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TEST_TARGET= test
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FFLAGS+= -I${LOCALBASE}/include
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LDFLAGS+= -llapack -lblas -lgfortran -lm
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MAKE_ARGS= PYTHON=${PYTHON_CMD} FC=${FC} FXX=${FC} LN=${CC} \
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INSTALLDIR=${STAGEDIR}${PREFIX} FREEBSD_PYDISTUTILS_INSTALLARGS="${PYDISTUTILS_INSTALLARGS} --root=${STAGEDIR}"
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BINARY_ALIAS= python=${PYTHON_CMD}
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OPTIONS_DEFINE= DFTD3 MPI SOCKETS ARPACK
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OPTIONS_DEFAULT= DFTD3 MPI SOCKETS
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DFTD3_DESC= Build with libdft3
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DFTD3_MAKE_ARGS= WITH_DFTD3=1
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DFTD3_MAKE_ARGS_OFF= WITH_DFTD3=0
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MPI_MAKE_ARGS= WITH_MPI=1
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MPI_MAKE_ARGS_OFF= WITH_MPI=0
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MPI_LIB_DEPENDS= libmpich.so:net/mpich \
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libscalapack.so:math/scalapack
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MPI_LDFLAGS= ${LOCALBASE}/lib/libmpich.so ${LOCALBASE}/lib/libmpifort.so ${LOCALBASE}/lib/libmpi.so
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SOCKETS_DESC= Build with sockets library
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SOCKETS_MAKE_ARGS= WITH_SOCKETS=1
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SOCKETS_MAKE_ARGS_OFF= WITH_SOCKETS=0
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SOCKETS_BINARY_ALIAS= gcc=${CC}
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ARPACK_DESC= Build with ARPACK for large eigenvalue problems
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ARPACK_MAKE_ARGS= WITH_ARPACK=1
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ARPACK_MAKE_ARGS_OFF= WITH_ARPACK=0
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ARPACK_LIB_DEPENDS= libarpack.so:math/arpack-ng
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ARPACK_PREVENTS= MPI # ARPACK is only used in a single-core application
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MAKE_JOBS_UNSAFE= yes # race conditions when some options are ON
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.include <bsd.port.pre.mk>
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.if ${GCC_DEFAULT} >= 10
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# workaround for Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/CHARACTER(*)).
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# in theory, this should set FCFLAGS, but the port does not conform
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FFLAGS+= -fallow-argument-mismatch
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.endif
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post-extract:
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@${RM} ${WRKSRC}/external/scalapackfx/origin/test/psyr_result.dat.orig
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@cd ${WRKSRC} && ${CP} sys/make.x86_64-linux-gnu make.arch
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post-install:
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@cd ${STAGEDIR}${PREFIX}/bin && ${STRIP_CMD} dftb+ modes waveplot
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.include <bsd.port.post.mk>
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