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Moved personal non-spacksites use and other site setup to wiki
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@@ -183,99 +183,3 @@ You can set a different build_stage in your site's `config.yaml` file (suggested | |
| Spack's default config.yaml for your site is in `$site_root/$site_name/etc/spack/defaults/config.yaml`. Each site has its own. | ||
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| Note: spacksites deliberately ignores any other local Spack config files to avoid clashes with other Spack setups you may have: [Personal spack config - ignored](spacksites/README.md#personal-spack-config---ignored) | ||
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| ## Get started with a personal install | ||
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| This is for non-spacksites-managed personal Spack use. | ||
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| ``` | ||
| git clone -c feature.manyFiles=true https://github.com/spack/spack.git | ||
| ``` | ||
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| A script to load the SCLs which will make Python 3.8 and GCC 11.2 available to you on the nodes: | ||
| Referring to this from now on as `load_scls.sh`. | ||
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| ``` | ||
| #!/bin/bash | ||
| # Source this. | ||
| UCL_SCLS="rh-python38 devtoolset-11" | ||
| for a in ${UCL_SCLS} | ||
| do | ||
| source /opt/rh/${a}/enable | ||
| done | ||
| export X_SCLS="${UCL_SCLS} ${X_SCLS}" | ||
| ``` | ||
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| You can then `source load_scls.sh` and will see the following are now available: | ||
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| ``` | ||
| [cceahke@login13 spack]$ which g++ | ||
| /opt/rh/devtoolset-11/root/usr/bin/g++ | ||
| [cceahke@login13 spack]$ which python | ||
| /opt/rh/rh-python38/root/usr/bin/python | ||
| ``` | ||
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| Spack setup: do we want to do this? It sets `$SPACK_ROOT` among other things. | ||
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| ``` | ||
| source spack/share/spack/setup-env.sh | ||
| ``` | ||
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| Spack's default config.yaml is `$SPACK_ROOT/etc/spack/defaults/config.yaml`. Things I changed straight away: | ||
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| ``` | ||
| build_stage: | ||
| - $user_cache_path/stage | ||
| build_jobs: 4 | ||
| ``` | ||
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| `build_stage` is where all the temporary building happens and must not be in `/tmp`. | ||
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| You can then start to use Spack. | ||
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| ``` | ||
| spack list gromacs | ||
| spack info --all gromacs | ||
| ``` | ||
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| See which compilers spack finds: if you sourced setup-env.sh before sourcing load_scls.sh then it will not look in our new `/opt/rh/devtoolset-11`. | ||
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| ``` | ||
| spack compilers | ||
| ==> Available compilers | ||
| -- gcc rhel7-x86_64 --------------------------------------------- | ||
| [email protected] [email protected] | ||
| ``` | ||
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| So tell it to look for the new one. | ||
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| ``` | ||
| spack compiler add /opt/rh/devtoolset-11/root/usr/bin/ | ||
| ==> Added 1 new compiler to /home/cceahke/.spack/linux/compilers.yaml | ||
| [email protected] | ||
| ==> Compilers are defined in the following files: | ||
| /home/cceahke/.spack/linux/compilers.yaml | ||
| ``` | ||
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| ## Other setups | ||
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| Spack has a repo at https://github.com/spack/spack-configs | ||
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| - LLNL, 2021, TREX Hackathon, Intro to Spack: https://www.trex-coe.eu/sites/default/files/TREX%20Build-systems%20Hackathon%20-%20Nov%202021/TREX%20-%20Spack%20presentation.pdf | ||
| - LLNL, 2022, Software Deployment Process at NERSC: Deploying the Extreme-scale Scientific Software Stack (E4S) Using Spack at the National Energy Research Scientific Computing Center (NERSC): https://escholarship.org/uc/item/5zh5z08q | ||
| - EPCC, 2020, Software Packages in HPC with Spack and EasyBuild (brief overview): https://www.archer2.ac.uk/training/courses/200617-spack-easybuild/ | ||
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| ### User-level | ||
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| - ORNL, installing own user packages with a base central environment and chained Spack instances https://docs.olcf.ornl.gov/software/spack_env/summit_spack_env.html | ||
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| ### Additional | ||
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| - E4S as mentioned above uses Spack and provides a build cache and containers. Attempts to put together an interoperable set of packages. "The Extreme-Scale Scientific Software Stack (E4S) is a community effort supported by the Exascale Computing Project (ECP) to provide an ecosystem of open source software packages for developing, deploying and running scientific applications on HPC platforms." | ||
| - https://e4s-project.github.io/ | ||
| - This may be of use if we have more AMD and need to build with AOCC/AOCL. | ||
| - AMD, Spack support of HPC applications https://developer.amd.com/spack/ | ||