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63e653adaa
From [1] * What is new in gsl-2.7: * fixed doc bug for gsl_histogram_min_bin (lhcsky at 163.com) * fixed bug #60335 (spmatrix test failure, J. Lamb) * fixed bug #36577 * clarified documentation on interpolation accelerators (V. Krishnan) * fixed bug #45521 (erroneous GSL_ERROR_NULL in ode-initval2, thanks to M. Sitte) * fixed doc bug #59758 * fixed bug #58202 (rstat median for n=5) * added support for native C complex number types in gsl_complex when using a C11 compiler * upgraded to autoconf 2.71, automake 1.16.3, libtool 2.4.6 * updated exponential fitting example for nonlinear least squares * added banded LU decomposition and solver (gsl_linalg_LU_band) * New functions added to the library: - gsl_matrix_norm1 - gsl_spmatrix_norm1 - gsl_matrix_complex_conjtrans_memcpy - gsl_linalg_QL: decomp, unpack - gsl_linalg_complex_QR_* (thanks to Christian Krueger) - gsl_vector_sum - gsl_matrix_scale_rows - gsl_matrix_scale_columns - gsl_multilarge_linear_matrix_ptr - gsl_multilarge_linear_rhs_ptr - gsl_spmatrix_dense_add (renamed from gsl_spmatrix_add_to_dense) - gsl_spmatrix_dense_sub - gsl_linalg_cholesky_band: solvem, svxm, scale, scale_apply - gsl_linalg_QR_UD: decomp, lssolve - gsl_linalg_QR_UU: decomp, lssolve, QTvec - gsl_linalg_QR_UZ: decomp - gsl_multifit_linear_lcurvature - gsl_spline2d_eval_extrap * bug fix in checking vector lengths in gsl_vector_memcpy (dieggsy@pm.me) * made gsl_sf_legendre_array_index() inline and documented - gsl_sf_legendre_nlm() [1] http://git.savannah.gnu.org/cgit/gsl.git/tree/NEWS PR: 256423 Exp-run by: antoine
58 lines
1.5 KiB
Makefile
58 lines
1.5 KiB
Makefile
PORTNAME= jdftx
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DISTVERSIONPREFIX= v
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DISTVERSION= 1.6.0
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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= Software for joint density functional theory in chemistry
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LICENSE= GPLv3+
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LICENSE_FILE= ${WRKSRC}/COPYING
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BUILD_DEPENDS= bash:shells/bash
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LIB_DEPENDS= libblas.so:math/blas \
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libcblas.so:math/cblas \
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libfftw3.so:math/fftw3 \
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libgsl.so:math/gsl \
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liblapack.so:math/lapack
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RUN_DEPENDS= bash:shells/bash
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TEST_DEPENDS= bash:shells/bash
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USES= compiler:c++11-lang cmake fortran localbase:ldflags shebangfix
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SHEBANG_GLOB= *.sh
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SHEBANG_FILES= scripts/*
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SHEBANG_LANG= octave
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USE_GITHUB= yes
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GH_ACCOUNT= shankar1729
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USE_LDCONFIG= yes
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TEST_TARGET= test
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WRKSRC_SUBDIR= ${PORTNAME}
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CMAKE_ARGS= -DLAPACK_LIBRARIES:STRING="-llapack -lblas"
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OPTIONS_DEFINE= MPI LIBXC HDF5 SCALAPACK OCTAVE
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OPTIONS_DEFAULT= MPI LIBXC
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MPI_CMAKE_BOOL= EnableMPI
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MPI_LIB_DEPENDS= libmpich.so:net/mpich
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LIBXC_DESC= Use LibXC for additional exchange-correlation functionals
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LIBXC_CMAKE_BOOL= EnableLibXC
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LIBXC_LIB_DEPENDS= libxc.so:science/libxc
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HDF5_CMAKE_BOOL= EnableHDF5
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HDF5_LIB_DEPENDS= libhdf5.so:science/hdf5
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HDF5_BROKEN= use of undeclared identifier 'H5Pset_dxpl_mpio' # https://github.com/shankar1729/jdftx/issues/37
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SCALAPACK_DESC= Enable ScaLAPACK support
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SCALAPACK_CMAKE_BOOL= EnableScaLAPACK
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SCALAPACK_LIB_DEPENDS= libscalapack.so:math/scalapack
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OCTAVE_DESC= With Octave support (only for one script: dryRunToPDB)
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OCTAVE_RUN_DEPENDS= octave:math/octave
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.include <bsd.port.mk>
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