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Add note about CVMFS release docs out-of-date.
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docs/admin/software.md

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@@ -5,6 +5,10 @@ title: Software Deployment
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## Spack on cvmfs
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!!! warning
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As of December 9th, this document it out-of-date and **must not** be followed.
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### Prerequisites
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- Access to `software.hpc.ucdavis.edu` as `software-user`.
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module load spack
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```
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This command moves you to the `/cvmfs/hpc.ucdavis.edu/sw/spack` directory, loads the Spack software, and activates the `main` environment.
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This command moves you to the `/cvmfs/hpc.ucdavis.edu/sw/spack` directory, loads the Spack software, and activates the
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`main` environment.
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#### Modify the Spack Environment
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The YAML files for the `main` environment live under `environments/main`:
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```console
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$ ls environments/main
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$ ls environments/main
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cryoem.yaml general.yaml libs.yaml spack.lock spack.yaml view
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```
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Do **not** edit `spack.yaml` directly. Instead:
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- Add new libraries to `libs.yaml`.
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- Add new software to `general.yaml`.
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- Add new libraries to `libs.yaml`.
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- Add new software to `general.yaml`.
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The format is `software @version +variant`. For example:
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```yaml
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- gromacs @2019.6 +cuda
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```
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Please include the version of the software. Available versions can be found at [packages.spack.io](https://packages.spack.io). You can also use `spack info`:
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Please include the version of the software. Available versions can be found at
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[packages.spack.io](https://packages.spack.io). You can also use `spack info`:
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```console
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$ spack info gromacs
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Homepage: https://www.gromacs.org
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Preferred version:
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Preferred version:
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2024.1 https://ftp.gromacs.org/gromacs/gromacs-2024.1.tar.gz
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Safe versions:
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Safe versions:
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main [git] https://gitlab.com/gromacs/gromacs.git on branch main
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2024.1 https://ftp.gromacs.org/gromacs/gromacs-2024.1.tar.gz
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2024 https://ftp.gromacs.org/gromacs/gromacs-2024.tar.gz
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...
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```
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This lists the available versions *and* variants for the package. It's important to take a look at these variants, as there may be non-default variants that are needed depending on the user request.
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This lists the available versions _and_ variants for the package. It's important to take a look at these variants, as
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there may be non-default variants that are needed depending on the user request.
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#### Reconcretize the Environment
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spack concretize -j 60
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```
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This command will concretize only the new specifications you've added. If the concretization fails, you should probably escalate.
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This command will concretize only the new specifications you've added. If the concretization fails, you should probably
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escalate.
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#### Install the Software
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spack install -j 60 name-of-software
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```
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Specify the new software or pieces of software you have concretized in order to avoid needing to wait for other failed builds to install. You do not need to specify their versions, as Spack will install the newly concretized versions automatically.
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If the build fails, you may need to fork the package and make fixes, which is out of scope for this guide. If it succeeds, proceed.
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Specify the new software or pieces of software you have concretized in order to avoid needing to wait for other failed
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builds to install. You do not need to specify their versions, as Spack will install the newly concretized versions
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automatically. If the build fails, you may need to fork the package and make fixes, which is out of scope for this
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guide. If it succeeds, proceed.
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#### Generate Modulefiles
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Ensure that the modulefiles are generated. This generally happens on its own, but on occasion needs to be kicked off manually:
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Ensure that the modulefiles are generated. This generally happens on its own, but on occasion needs to be kicked off
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manually:
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```bash
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spack module tcl refresh name-of-software
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```
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#### Check the Software
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You should do a cursory check that the software actually works. Usually the best way to do this is to just run `name-of-software -h`. For example, for the software `fastani`:
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You should do a cursory check that the software actually works. Usually the best way to do this is to just run
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`name-of-software -h`. For example, for the software `fastani`:
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```console
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$ module load fastani/1.33
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$ fastANI -h
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$ fastANI -h
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-----------------
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fastANI is a fast alignment-free implementation for computing whole-genome Average Nucleotide Identity (ANI) between genomes
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-----------------
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If it runs without errors, proceed to the next step. If not, it's probably time to escalate.
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#### Commit Changes
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#### Commit Changes
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Commit your changes to the spack-ucdavis repo. Move into it:
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```
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Move out of the cvmfs directory and close out any open files you have there.
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#### Publish the Changes
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Publish your changes to cvmfs:

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