Spack software packaging scripts and configurations.

mkdir -p /path/to/spack_parent; cd /path/to/spack_parent ; /path/to/spackmgr/build v0.20.1 gcc

/path/to/spackmgr/build release_tag [gcc|all], where release_tag is any valid Spack Git tag.

This file.

Rules for building a Rocky 8 VM with minimum Spack dependencies via Vagrant. Can also install Slurm from EPEL to more closely emulate an HPC environment.

Pass/fail script for git bisect, intended to identify where a regression bug might have occurred for installing a particular spec. Can be adapted to other purposes.

Bootstrapping script for Spack installations. Intended to be run from a folder that will be the parent of the Spack installation.

1. Clones the official Spack repository into a git folder, then runs git archive against a given release tag to create the Spack root for this version.
2. Copies updated package recipies from a package-fixes subfolder for that release tag.
3. If Slurm is installed, adds it as an external package.
4. Optionally, does spack installations of every newer major release of gcc, adds them to the spack compiler list, and uses older compiler versions by default.
5. Optionally, does spack installations of all specs listed in specs-common.txt and specs-RELEASE.txt.

A directory tree of updated files to be copied into the var/spack/repos/builtin/packages folder.

Copy of shdotenv 0.13.0, for use with spackify.

Placeholder folder for third-party source code (NAMD, Maker, etc.).

Script run with sudo delegating Spack software management to research software engineers.

List of spack specs to install. Can also add specs-release.txt for specs specific to a particular Spack release.

Given a centrally-managed Spack 0.20.1 in /opt/ohpc/pub/spack/v0.20.1, a user can leverage its packages and add their own packages in ~/spack-0.20.1 as follows:

Download and extract Spack, then disable centrally-managed Spack:

cd ~
wget https://github.com/spack/spack/releases/download/v0.20.1/spack-0.20.1.tar.gz
tar -zxf ~/spack-0.20.1.tar.gz
echo 'export DISABLE_SYSTEM_SPACK=1' > ~/.spack_setup

Copy over some standard settings from the centrally-managed Spack:

cp -a /opt/ohpc/pub/spack/v0.20.1/etc/spack/{linux,*.yaml} ~/spack-0.20.1/etc/spack/

Then, log out from the HPC completely to ensure the centrally-managed Spack is disabled entirely, and log back in.

Verify the centrally-managed Spack is no longer used by default:

[renfro@gpunode003(job 174321) ~]$ which spack
/usr/bin/which: no spack in (/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/home/tntech.edu/renfro/.local/bin:/home/tntech.edu/renfro/bin)

Load the user-managed Spack and verify it has no packages installed:

[renfro@gpunode003(job 174321) ~]$ . ~/spack-0.20.1/share/spack/setup-env.sh
[renfro@gpunode003(job 174321) ~]$ spack find
==> 0 installed packages

Add a configuration file telling the user-managed Spack where the centrally-managed Spack installation is. nano ~/spack-0.20.1/etc/spack/upstreams.yaml and only use the lines below:

upstreams:
  tntech:
    install_tree: /opt/ohpc/pub/spack/v0.20.1/opt/spack

Install a simple package, notice that all of this package's dependencies are already installed in the centrally-managed Spack, ensuring a much faster installation process.

[renfro@gpunode003(job 174321) ~]$ spack install cowsay
[+] /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/berkeley-db-18.1.40-hcm2ou2qqv7hksdgjx5s7wmoj577j3ri
[+] /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/bzip2-1.0.8-kqtusqz7a7tb6a4whcskjrc2dunjf3dr
[+] /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/ncurses-6.4-ilr5tjzk5pejy6kh25y7mczao23k3udj
[+] /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/zlib-1.2.13-s7zi7mma2xpws2mdh27j2qgnasg7uyb2
[+] /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/readline-8.2-b3k5lzac2mx2tdh7znkzpxofldi3z7rp
[+] /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/gdbm-1.23-rzxic7syszaantjc7mihxulc3eymh324
[+] /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/perl-5.36.0-im5hi7njqvu5jr3pocaq5pru3smqmb4r
==> Installing cowsay-3.04-jxz7d5p4iw5byfvba7f4e2nnenrdaxq2
==> No binary for cowsay-3.04-jxz7d5p4iw5byfvba7f4e2nnenrdaxq2 found: installing from source
==> Using cached archive: /home/tntech.edu/renfro/spack-0.20.1/var/spack/cache/_source-cache/archive/d8/d8b871332cfc1f0b6c16832ecca413ca0ac14d58626491a6733829e3d655878b.tar.gz
==> No patches needed for cowsay
==> cowsay: Executing phase: 'install'
==> cowsay: Successfully installed cowsay-3.04-jxz7d5p4iw5byfvba7f4e2nnenrdaxq2
  Stage: 0.03s.  Install: 0.15s.  Post-install: 0.12s.  Total: 0.46s
[+] /home/tntech.edu/renfro/spack-0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/cowsay-3.04-jxz7d5p4iw5byfvba7f4e2nnenrdaxq2

Verify where packages are installed. One is in the user-managed Spack installation, the other is in the centrally-managed Spack installation:

[renfro@gpunode003(job 174321) ~]$ spack find -p cowsay perl
-- linux-rocky8-x86_64_v3 / [email protected] ---------------------------
[email protected]  /home/tntech.edu/renfro/spack-0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/cowsay-3.04-jxz7d5p4iw5byfvba7f4e2nnenrdaxq2
[email protected]  /opt/ohpc/pub/spack/v0.20.1/opt/spack/linux-rocky8-x86_64_v3/gcc-8.5.0/perl-5.36.0-im5hi7njqvu5jr3pocaq5pru3smqmb4r
==> 2 installed packages