diff options
Diffstat (limited to 'sci-physics/abinit/metadata.xml')
-rw-r--r-- | sci-physics/abinit/metadata.xml | 31 |
1 files changed, 29 insertions, 2 deletions
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml index e8b3b1d6a..e0342c8a8 100644 --- a/sci-physics/abinit/metadata.xml +++ b/sci-physics/abinit/metadata.xml @@ -15,6 +15,12 @@ Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided. </longdescription> <use> + <flag name="atompaw">Enable support for atompaw, a Projector Augmented Waves atomic data generator</flag> + </use> + <use> + <flag name="bigdft">Enable support for BigDFT, DFT package using wavelet basis set</flag> + </use> + <use> <flag name="cuda">Enable support for nVidia CUDA</flag> </use> <use> @@ -34,7 +40,16 @@ ABINIT code, different utility programs are provided. <flag name="fox">Enable support for FoX Fortran XML library</flag> </use> <use> - <flag name="gui">Build the abinit GUI (requires java)</flag> + <flag name="gui"> + Build the abinit GUI (requires java); + since 7.4.x a separate package + </flag> + </use> + <use> + <flag name="levmar"> + Enable support for <pkg>sci-libs/levmar</pkg>, + the Levenberg-Marquardt least-squares optimisation + </flag> </use> <use> <flag name="libabinit"> @@ -43,6 +58,18 @@ ABINIT code, different utility programs are provided. </flag> </use> <use> - <flag name="vdwxc">Activate van der Waals exchange-correlation</flag> + <flag name="libxc">Enable support for libxc, an exchange-correlation potentials library</flag> + </use> + <use> + <flag name="lotf">Activate the Learn on The Fly method (LOTF) for Molecular Dynamics</flag> + </use> + <use> + <flag name="scripts">Install helper scripts, mostly Python</flag> + </use> + <use> + <flag name="vdwxc">Activate van der Waals exchange-correlation correction</flag> + </use> + <use> + <flag name="wannier">Enable support for wannier90, a maximally localized Wannier functions (MLWFs) calculator</flag> </use> </pkgmetadata> |