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PORTNAME= qmcpack
DISTVERSIONPREFIX= v
DISTVERSION= 3.10.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Many-body ab initio Quantum Monte Carlo code for quantum chemistry
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/LICENSE
BROKEN_i386= undefined reference to `__atomic_load'
BUILD_DEPENDS= catch>0:devel/catch
LIB_DEPENDS= libboost_system.so:devel/boost-libs \
libfftw3.so:math/fftw3 \
libhdf5.so:science/hdf5 \
libmpich.so:net/mpich \
libopenblas.so:math/openblas \
libsz.so:science/szip
USES= cmake compiler:c++11-lang fortran gnome localbase:ldflags pkgconfig python:build
USE_GITHUB= yes
GH_ACCOUNT= ${PORTNAME:tu}
USE_GNOME= libxml2
CXXFLAGS+= -I${LOCALBASE}/include/catch2
PROGS= convert4qmc qmc-check-affinity qmc-extract-eshdf-kvectors qmc-get-supercell qmcpack
PLIST_FILES= ${PROGS:C/^/bin\//}
BINARY_ALIAS= python=${PYTHON_CMD}
do-install:
.for p in ${PROGS}
${INSTALL_PROGRAM} ${BUILD_WRKSRC}/bin/${p} ${STAGEDIR}${PREFIX}/bin
.endfor
.include <bsd.port.mk>
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