[WIP] add wannier90 and vasp

toolchains/global/global_packages.list

@@ -20,3 +20,25 @@ octopus@15.1%gcc@13.2.0+mpi+netcdf+parmetis+arpack+cgal+pfft+python+likwid+libya
    ^netlib-scalapack@2.2.0 \
    ^fftw@3.3.10+openmp \
    ^hdf5@1.14.3+fortran
+
+wannier90%gcc@14.2.0 \
+   ^openblas@0.3.28 \
+   ^openmpi@4.1.6~cuda fabrics=ucx schedulers=slurm \
+   ^ucx@1.15.0+cma~cuda+dc+dm~gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs~vfs~xpmem
+
+wannier90%oneapi@2025.0.0 \
+   ^intel-oneapi-mpi@2021.14.0 \
+   ^intel-oneapi-mkl@2025.0.0+cluster threads=openmp
+
+vasp%gcc@14.2.0 +openmp+scalapack+hdf5 \
+   ^fftw@3.3.10+openmp+mpi+pfft_patches \
+   ^openblas@0.3.28 \
+   ^netlib-scalapack@2.2.0 \
+   ^openmpi@4.1.6~cuda fabrics=ucx schedulers=slurm \
+   ^ucx@1.15.0+cma~cuda+dc+dm~gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs~vfs~xpmem \
+   ^hdf5@1.14.5+mpi
+
+vasp%oneapi@2025.0.0 +openmp+scalapack+hdf5 \
+   ^intel-oneapi-mpi@2021.14.0 \
+   ^intel-oneapi-mkl@2025.0.0+cluster threads=openmp \
+   ^hdf5@1.14.5+mpi