48 lines
1.5 KiB
Makefile
48 lines
1.5 KiB
Makefile
PORTNAME= dirac
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DISTVERSION= 22.0
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PORTREVISION= 1
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CATEGORIES= science # chemistry
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MASTER_SITES= https://zenodo.org/record/6010450/files/
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PKGNAMESUFFIX= -quantum-chemistry-software
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DISTNAME= ${PORTNAME:tu}-${DISTVERSION}-Source
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Program for atomic & molecular relativistic all-electron calculations
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WWW= http://diracprogram.org/doku.php
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LICENSE= LGPL21
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LICENSE_FILE= ${WRKSRC}/LICENSE
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BROKEN_armv7= compilation fails: Error: Old-style type declaration REAL*16 not supported at (1)
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BROKEN_i386= error: Type mismatch in argument 'dsetid' at (1); passed INTEGER(8) to INTEGER(4), see https://gitlab.com/dirac/dirac/-/issues/36
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BUILD_DEPENDS= gmake:devel/gmake
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LIB_DEPENDS= libblas.so:math/blas \
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libhdf5.so:science/hdf5 \
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liblapack.so:math/lapack
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USES= cmake:noninja,testing fortran python shebangfix
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#USE_GITLAB= yes
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#GL_TAGNAME= 37b755410d9fdcd9b5e7bba6e43ceb7d5c7b9dae
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SHEBANG_FILES= pam.in \
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utils/process_schema.py \
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utils/dirac_data.py
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CMAKE_OFF= ENABLE_EXATENSOR \
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ENABLE_PCMSOLVER # PCMSolver integration is broken, see https://gitlab.com/dirac/dirac/-/issues/33 and https://gitlab.com/dirac/dirac/-/issues/34
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CMAKE_ARGS= -DMKL_FLAG=off
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CFLAGS+= -DSYS_LINUX # see https://gitlab.com/dirac/dirac/-/issues/32
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CXXFLAGS+= -DSYS_LINUX
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FFLAGS+= -DSYS_LINUX
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LDFLAGS+= -llapack -lblas
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BINARY_ALIAS= make=${GMAKE} \
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python=${PYTHON_CMD} \
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python3=${PYTHON_CMD}
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# 2 tests are known to fail, see https://gitlab.com/dirac/dirac/-/issues/35
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.include <bsd.port.mk>
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