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Merge pull request #15 from hpc4cmb/ducc
Add ducc0 package to most configs. Add config for NVHPC.
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,79 @@ | ||
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| # OS type (linux OR osx) | ||
| OSTYPE = linux | ||
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| # Specify the template to use | ||
| TEMPLATE = linux | ||
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| # Python version to use | ||
| PYVERSION = auto | ||
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| # Packages to install with pip | ||
| PIP_PKGS = future nose Cython numpy scipy matplotlib pyyaml astropy six psutil ephem pandas memory_profiler ipython cycler kiwisolver python-dateutil toml numba tbb nbstripout black wurlitzer ipympl ipykernel jupyterlab pillow pshmem tomlkit traitlets healpy ducc0 | ||
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| # Packages to install with conda | ||
| CONDA_PKGS = | ||
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| # Serial compilers | ||
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| CC = nvc | ||
| CXX = nvc++ | ||
| FC = nvfortran | ||
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| # Compiler to use for packages needed on the build machine | ||
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| BUILD_CC = gcc | ||
| BUILD_CXX = g++ | ||
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| # MPI compilers | ||
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| MPICC = mpicc | ||
| MPICXX = mpicxx | ||
| MPIFC = mpifort | ||
| MPI_CPPFLAGS = @AUX_PREFIX@/include | ||
| MPI_LDFLAGS = @AUX_PREFIX@/lib | ||
| MPI_CXXLIB = mpichcxx | ||
| MPI_LIB = mpich | ||
| MPI_EXTRA_COMP = -noswitcherror | ||
| MPI_EXTRA_LINK = | ||
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| # Compile flags | ||
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| CFLAGS = -O3 -fPIC -pthread | ||
| CXXFLAGS = -O3 -fPIC -pthread -std=c++11 | ||
| FCFLAGS = -O3 -fPIC -pthread | ||
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| OPENMP_CFLAGS = -mp | ||
| OPENMP_CXXFLAGS = -mp | ||
| LDFLAGS = -lpthread -mp | ||
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| # Are we doing a cross-compile? | ||
| CROSS = | ||
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| # Parallel builds | ||
| MAKEJ = 4 | ||
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| # Define MKL location | ||
| MKL = | ||
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| # CUDA | ||
| CUDA = /opt/nvidia/hpc_sdk/Linux_x86_64/21.9/cuda | ||
| CUDA_INC = /opt/nvidia/hpc_sdk/Linux_x86_64/21.9/cuda/include | ||
| CUDA_LIB = /opt/nvidia/hpc_sdk/Linux_x86_64/21.9/cuda/lib64 | ||
| CUDA_MATH = /opt/nvidia/hpc_sdk/Linux_x86_64/21.9/math_libs | ||
| CUDA_MATH_INC = /opt/nvidia/hpc_sdk/Linux_x86_64/21.9/math_libs/include | ||
| CUDA_MATH_LIB = /opt/nvidia/hpc_sdk/Linux_x86_64/21.9/math_libs/lib64 | ||
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| # For BLAS/LAPACK, we use openblas | ||
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| BLAS = -lnvblas | ||
| LAPACK = -lopenblas -fopenmp -lm | ||
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| # Boost toolchain name | ||
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| BOOSTCHAIN = pgi | ||
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| # Group and permissions to set | ||
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| CHGRP = | ||
| CHMOD = |
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,7 @@ | ||
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| if [ module-info mode load ] { | ||
| if [ is-loaded nvhpc ] { | ||
| } else { | ||
| module load nvhpc | ||
| } | ||
| } |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,116 @@ | ||
| # This is the full set of packages that can be installed. This can be | ||
| # used as a starting point for the package list for a particular config. | ||
| # Some packages accept additional options which can be added after a colon ":". | ||
| # These extra options are documented in the shell snippet for each package | ||
| # in the top-level pkgs directory. | ||
| # | ||
| # Autotools. If you already have recent versions installed with your OS | ||
| # package manager, then comment these out. | ||
| m4 | ||
| libtool | ||
| autoconf | ||
| automake | ||
| # | ||
| # CMake. | ||
| cmake | ||
| # | ||
| # Install zlib. This is needed on some systems where the OS-provided zlib is | ||
| # very ancient. | ||
| zlib | ||
| # | ||
| # Install OpenBLAS. Comment out if you are using MKL with the Intel compilers | ||
| # or some other vendor BLAS / LAPACK solution. | ||
| openblas | ||
| # | ||
| # Python 3. Uncomment one of the following lines. You should only use the | ||
| # "default" option for Docker images. All other configs should use either | ||
| # a virtualenv or a conda environment. This will also install a set of | ||
| # common base packages. | ||
| python:virtualenv | ||
| #python:conda | ||
| #python:default | ||
| # | ||
| # Install MPICH. This step is optional and only needed in 2 cases: | ||
| # 1. You don't have MPI available through system packages that is | ||
| # compatible with the serial compilers you are using. | ||
| # 2. You are building a docker container for use at NERSC with shifter | ||
| # and need an MPICH compatible with the Cray one. | ||
| mpich | ||
| # | ||
| # Install mpi4py. This will use the MPI compilers specified in your config. | ||
| mpi4py | ||
| # | ||
| # Install CFITSIO. | ||
| cfitsio | ||
| # | ||
| # Install FFTW3. | ||
| fftw | ||
| # | ||
| # Install pyFFTW | ||
| pyfftw | ||
| # | ||
| # Install libbz2. This is required to enable some features in the boost | ||
| # build which are in turn needed by spt3g. | ||
| bzip2 | ||
| # | ||
| # Install Boost. | ||
| #boost | ||
| # | ||
| # Install HDF5. | ||
| hdf5 | ||
| # | ||
| # Install h5py (using our HDF5). | ||
| h5py | ||
| # | ||
| # Install healpy | ||
| #healpy | ||
| # | ||
| # Install quaternionarray | ||
| qarray | ||
| # | ||
| # Install Pixell | ||
| #pixell | ||
| # | ||
| # Install fitsio | ||
| #fitsio | ||
| # | ||
| # Install aatm. Needed for some features of atmosphere simulations. | ||
| aatm | ||
| # | ||
| # GMP and MPFR are needed by SuiteSparse | ||
| gmp | ||
| mpfr | ||
| # | ||
| # Install suitesparse | ||
| suitesparse | ||
| # | ||
| # Install libconviqt. 4-PI a_lm space beam convolution. | ||
| conviqt | ||
| # | ||
| # Install libsharp. Distributed harmonic transforms. | ||
| libsharp | ||
| # | ||
| # Install libmadam. Destriping map-maker. | ||
| madam | ||
| # | ||
| # Install FLAC, needed by spt3g | ||
| #libflac | ||
| # | ||
| # Install SPT3G. Frame based data format. | ||
| #spt3g | ||
| # | ||
| # Install uncrustify | ||
| uncrustify | ||
| # | ||
| # Install TIDAS. HDF5-based timestream data format. | ||
| tidas | ||
| # | ||
| # Install PySM. Python Sky Model. | ||
| pysm | ||
| # | ||
| # Install PyMPIT for environment testing. Useful for testing working | ||
| # mpi4py stack. | ||
| pympit | ||
| # | ||
| # Install TOAST. | ||
| toast |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,4 @@ | ||
| loadednvhpc=`modulecmd sh -t list 2>&1 | grep nvhpc` | ||
| if [ "x${loadednvhpc}" = x ]; then | ||
| module load nvhpc | ||
| fi |
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