README: add a quick conda setup for CPU tests - #15
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Installing from PyPI compiles the extension locally, so an MPI and a BLAS have
to be present already; the section did not say how to get them. A conda-forge
environment supplies both, plus the Python build tools and pyscf, inside the
environment, so nothing is installed system-wide:
conda create -n sbd python=3.12 pybind11 numpy setuptools wheel pyscf pip \
mpi4py openmpi openblas -c conda-forge
conda activate sbd
pip install sbd-eigensolver
openmpi is named explicitly because that is what this path is tested against;
conda-forge's mpich is not interchangeable here. Intended for a quick CPU test:
conda-forge's MPI is not built with CUDA support, so GPU backends still need a
source install. Also links Miniforge.
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Adds a quick conda setup to the Install from PyPI section, for CPU tests.
pip install sbd-eigensolvercompiles the extension locally — the sdist bundlesthe sbd headers, but there are no wheels — so an MPI and a BLAS have to be present
already. The section did not say how to get them. A conda-forge environment
supplies both, plus the Python build tools and
pyscf, inside the environment, sonothing is installed system-wide:
conda create -n sbd python=3.12 pybind11 numpy setuptools wheel pyscf pip \ mpi4py openmpi openblas -c conda-forge conda activate sbd pip install sbd-eigensolveropenmpiis named explicitly because that is what this path is tested against —conda-forge's
mpichis not interchangeable here.Intended for a quick CPU test: conda-forge's MPI is not built with CUDA support,
so the GPU backends still need a source install.
Also links Miniforge.
Documentation only; no code changes.