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Update install instruction #180

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e6cda3e
Update install instruction about the conda channels
sunqm Nov 15, 2025
6ca5979
Improve conda install instruction
sunqm Nov 15, 2025
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24 changes: 16 additions & 8 deletions source/user/install.md
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Expand Up @@ -108,21 +108,29 @@ See [CMake options](#cmake-options) for details about CMake configuration.

## Install with conda

If you have a [Conda](https://conda.io/docs/) (or
[Anaconda](https://www.continuum.io/downloads) environment, PySCF
package can be installed from the Conda cloud (for Linux and macOS
systems),
If you use [Conda](https://conda.io/docs/) (or
[Anaconda](https://www.continuum.io/downloads), PySCF can be installed from the
conda-forge channel on Linux and MacOS
```bash
conda install -c pyscf -c conda-forge pyscf
conda install -c conda-forge pyscf
```

To prevent potential conflict problems, it is recommended to enable the conda-forge channel in the ``.condarc``,
or create an environment enabling conda-forge like
To avoid potential conflict problems, it is recommended to create a dedicated
environment that uses conda-forge
```bash
conda create -n pyscf-env -c conda-forge -c pyscf python=3.9 pyscf
conda create -n pyscf-env -c conda-forge python=3.12 pyscf
conda activate pyscf-env
```

The conda-forge build of PySCF is available for various platforms, including
Apple Silicon and other ARM64 systems. These builds are linked against OpenBLAS,
which may be less efficient than the MKL library on x86 hardware. If you are
using an x86 CPU and prefer MKL for BLAS functions, an alternative release is
available from the pyscf channel
```bash
conda install -c pyscf pyscf
```

<!--
Extension modules are not available on the Conda cloud. They should be
installed either with pip or through the environment variable
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