diff options
Diffstat (limited to 'sci-physics/abinit/metadata.xml')
-rw-r--r-- | sci-physics/abinit/metadata.xml | 44 |
1 files changed, 22 insertions, 22 deletions
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml index b1c414c7c..d694831d1 100644 --- a/sci-physics/abinit/metadata.xml +++ b/sci-physics/abinit/metadata.xml @@ -22,39 +22,39 @@ ABINIT code, different utility programs are provided. <flag name="bigdft">Enable support for BigDFT, DFT package using wavelet basis set</flag> <flag name="cuda">Enable support for nVidia CUDA</flag> <flag name="cuda-double"> - Enable support for double precision nVidia CUDA - </flag> +Enable support for double precision nVidia CUDA +</flag> <flag name="etsf_io"> - Enable support for reading and writing the European Theoretical - Spectroscopy facility (ETSF) file format. - </flag> +Enable support for reading and writing the European Theoretical +Spectroscopy facility (ETSF) file format. +</flag> <flag name="fftw-threads"> - Use the threaded (openMP or pthreads) version of <pkg>sci-libs/fftw</pkg> - </flag> +Use the threaded (openMP or pthreads) version of <pkg>sci-libs/fftw</pkg> +</flag> <flag name="fftw-mpi"> - Use the MPI version of <pkg>sci-libs/fftw</pkg> (always with either openMP or pthreads too) - </flag> +Use the MPI version of <pkg>sci-libs/fftw</pkg> (always with either openMP or pthreads too) +</flag> <flag name="fox">Enable support for FoX Fortran XML library</flag> <flag name="levmar"> - Enable support for <pkg>sci-libs/levmar</pkg>, - the Levenberg-Marquardt least-squares optimisation - </flag> +Enable support for <pkg>sci-libs/levmar</pkg>, +the Levenberg-Marquardt least-squares optimisation +</flag> <flag name="libabinit"> - Build the libabinit used by <pkg>sci-libs/bigdft</pkg> - (usage not tested yet, circular dependency not resolved) - </flag> +Build the libabinit used by <pkg>sci-libs/bigdft</pkg> +(usage not tested yet, circular dependency not resolved) +</flag> <flag name="libxc">Enable support for libxc, an exchange-correlation potentials library</flag> <flag name="lotf">Activate the Learn on The Fly method (LOTF) for Molecular Dynamics</flag> <flag name="scalapack"> - Use ScaLAPACK, a subset of LAPACK routines redesigned for heterogenous computing - </flag> +Use ScaLAPACK, a subset of LAPACK routines redesigned for heterogenous computing +</flag> <flag name="scripts">Install helper scripts, mostly Python</flag> <flag name="vdwxc"> - Activate van der Waals exchange-correlation correction. Since 7.4.0 - no longer optional - </flag> +Activate van der Waals exchange-correlation correction. Since 7.4.0 +no longer optional +</flag> <flag name="wannier"> - Enable support for wannier90, a maximally localized Wannier functions (MLWFs) calculator - </flag> +Enable support for wannier90, a maximally localized Wannier functions (MLWFs) calculator +</flag> </use> </pkgmetadata> |