diff --git a/toolchains/global/global_packages.list b/toolchains/global/global_packages.list index e08300624c95140f6625a02ec2b616b5c9420fa4..a8907ab9da208f96a52dc7201eb831360353e593 100644 --- a/toolchains/global/global_packages.list +++ b/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