diff --git a/README.md b/README.md index e212dd7..0690294 100644 --- a/README.md +++ b/README.md @@ -76,6 +76,31 @@ sudo make installcheck ``` +## Installation procedure for Guix users + +QMCkl can be installed with the [GNU Guix](https://guix.gnu.org) functional package manager. +The [qmckl.scm](https://github.com/TREX-CoE/qmckl/blob/master/tools/qmckl.scm) +Schema file contains the manifest specification for the `qmckl` installations. +It can be installed within the selected `$GUIX_PROFILE` as follows: + +``` +guix package \ + --profile=$GUIX_PROFILE \ + --load-path= \ + --cores= \ + --install-from-file=qmckl.scm +``` + +where `` should point to a folder, which contains the TREXIO manifest file +[trexio.scm](https://github.com/TREX-CoE/trexio/blob/master/tools/trexio.scm) +(e.g. `~/trexio/tools/` if TREXIO repository was cloned under $HOME). + +Installation procedures for both development version (`qmckl-dev`) +and stable releases (`qmckl-hpc`) are provided. +One can switch between them using the return value (last line) +in the `qmckl.scm` file. + + ## Linking to your program The `make install` command takes care of installing the QMCkl shared library on the user machine.