diff --git a/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/compiler_vars.sh b/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/compiler_vars.sh deleted file mode 100644 index 858203f460158c7b5f099d65f8c31dd816f3c635..0000000000000000000000000000000000000000 --- a/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/compiler_vars.sh +++ /dev/null @@ -1,2 +0,0 @@ -toolchain_compiler_package="gcc@11.5.0" -export TOOLCHAIN_COMPILER=$toolchain_compiler_package diff --git a/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/spack.yaml.jinja b/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/spack.yaml.jinja deleted file mode 100644 index 9e9625a5dbee1127fd24e34ea915a626ccc032d5..0000000000000000000000000000000000000000 --- a/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/spack.yaml.jinja +++ /dev/null @@ -1,62 +0,0 @@ -spack: - definitions: - - compilers: - - "{{ toolchain_compiler }}" - - mpis: - - openmpi@4.1.4+cuda cuda_arch=70 fabrics=ucx schedulers=slurm ^slurm@22-05-8-1+pmix^ucx@1.13.1+cma+cuda+dc+dm+gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs~vfs~xpmem - ^cuda@12.2.2+allow-unsupported-compilers - - packages: - - binutils@2.38+headers+ld - - openblas@0.3.20 - # autotools 20210128 not in spack; manually - - autoconf@2.71 - - libtool@2.4.7 - - automake@1.16.5 - - cmake@3.26.6 - - ninja@1.11.1 - # octopus dependencies: - - libxc@5.2.3+kxc - - spglib@2.1.0 - - gsl@2.7.1 - - sparskit@develop - - nlopt@2.7.0 - - libgd@2.2.4 - - nfft@3.2.4 - - python@3.9.5 - - cgal@5.0.3 - - dftbplus@21.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant) non mpi based on Franco's suggestion - - libpspio@0.4.1+fortran - - packages_with_mpi: - - fftw@3.3.10+openmp+mpi+pfft_patches - - netlib-scalapack@2.1.0 - # octopus dependencies: - - elpa@2021.11.001+cuda cuda_arch=70 ^cuda@12.2.2+allow-unsupported-compilers # elpa@2020.05.001 - - libvdwxc@0.4.0+mpi+pfft - - berkeleygw@3.0.1+mpi - - parmetis@4.0.3+int64 - - pfft@1.0.8-alpha - - pnfft@1.0.7-alpha - - hdf5@1.12.2+mpi - - netcdf-fortran@4.6.0 ^netcdf-c+mpi - - bigdft-futile@1.9.2+shared+mpi - - bigdft-psolver@1.9.2+shared+mpi~cuda # octopus does not use cuda variant - - etsf-io@1.0.4 - specs: - - matrix: - - [$mpis] - - [$%compilers] - - matrix: - - [$packages] - - [$%compilers] - - matrix: - - [$packages_with_mpi] - - [$^mpis] - - [$%compilers] - view: true - concretizer: - reuse: false - unify: true - packages: - all: - require: "%{{ toolchain_compiler }}" -