59 lines
1.5 KiB
Makefile
59 lines
1.5 KiB
Makefile
# $FreeBSD$
|
|
|
|
PORTNAME= jdftx
|
|
DISTVERSIONPREFIX= v
|
|
DISTVERSION= 1.6.0
|
|
CATEGORIES= science
|
|
|
|
MAINTAINER= yuri@FreeBSD.org
|
|
COMMENT= Software for joint density functional theory in chemistry
|
|
|
|
LICENSE= GPLv3+
|
|
LICENSE_FILE= ${WRKSRC}/COPYING
|
|
|
|
BUILD_DEPENDS= bash:shells/bash
|
|
LIB_DEPENDS= libblas.so:math/blas \
|
|
libcblas.so:math/cblas \
|
|
libfftw3.so:math/fftw3 \
|
|
libgsl.so:math/gsl \
|
|
liblapack.so:math/lapack
|
|
RUN_DEPENDS= bash:shells/bash
|
|
TEST_DEPENDS= bash:shells/bash
|
|
|
|
USES= compiler:c++11-lang cmake fortran localbase:ldflags shebangfix
|
|
SHEBANG_GLOB= *.sh
|
|
SHEBANG_FILES= scripts/*
|
|
SHEBANG_LANG= octave
|
|
USE_GITHUB= yes
|
|
GH_ACCOUNT= shankar1729
|
|
USE_LDCONFIG= yes
|
|
|
|
TEST_TARGET= test
|
|
|
|
WRKSRC_SUBDIR= ${PORTNAME}
|
|
|
|
CMAKE_ARGS= -DLAPACK_LIBRARIES:STRING="-llapack -lblas"
|
|
|
|
OPTIONS_DEFINE= MPI LIBXC HDF5 SCALAPACK OCTAVE
|
|
OPTIONS_DEFAULT= MPI LIBXC
|
|
|
|
MPI_CMAKE_BOOL= EnableMPI
|
|
MPI_LIB_DEPENDS= libmpich.so:net/mpich
|
|
|
|
LIBXC_DESC= Use LibXC for additional exchange-correlation functionals
|
|
LIBXC_CMAKE_BOOL= EnableLibXC
|
|
LIBXC_LIB_DEPENDS= libxc.so:science/libxc
|
|
|
|
HDF5_CMAKE_BOOL= EnableHDF5
|
|
HDF5_LIB_DEPENDS= libhdf5.so:science/hdf5
|
|
HDF5_BROKEN= use of undeclared identifier 'H5Pset_dxpl_mpio' # https://github.com/shankar1729/jdftx/issues/37
|
|
|
|
SCALAPACK_DESC= Enable ScaLAPACK support
|
|
SCALAPACK_CMAKE_BOOL= EnableScaLAPACK
|
|
SCALAPACK_LIB_DEPENDS= libscalapack.so:math/scalapack
|
|
|
|
OCTAVE_DESC= With Octave support (only for one script: dryRunToPDB)
|
|
OCTAVE_RUN_DEPENDS= octave:math/octave
|
|
|
|
.include <bsd.port.mk>
|