Skip to content

README: add a quick conda setup for CPU tests #15

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
hfwen0502 merged 1 commit into from
Sep 2, 2026
Merged

README: add a quick conda setup for CPU tests #15

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
13 changes: 11 additions & 2 deletions README.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -33,12 +33,21 @@ the local MPI and BLAS, so an MPI toolchain (`mpicc` on `PATH`, or

### Install from PyPI

**For a quick CPU test**, a conda environment is the easiest way to satisfy that:
it supplies every dependency — MPI, BLAS and the Python build tools — inside the
environment, so nothing has to be installed system-wide and nothing on the host
is touched. Any conda works; [Miniforge](https://github.com/conda-forge/miniforge)
is a small one that defaults to conda-forge.

```bash
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
```

The published source distribution (sdist) bundles the sbd header
files, so this needs no git checkout and no submodule step.
The published source distribution (sdist) bundles the sbd header files, so this
needs no git checkout and no submodule step.

### Install from git checkout

Expand Down