Merge pull request #7 from supercontainers/add-lammps-artifact-generation

add lammps artifact generation example

Author: vsoch

examples/check-lammps/README.md

@@ -0,0 +1,89 @@
+# Check LAMMPS
+
+This will be a small experiment to:
+
+1. Generate compatiility artifacts for a few containers
+2. Push them to an OCI registry
+3. Create (design) a manifest.yaml that lists them side by side
+4. Test (and develop) the check tool to choose the best one (and test different modes for doing this)
+
+## 1. Generate Compatibility Artifacts
+
+Let's first choose a subset of amd64 containers. We are doing this primarily because that is my development host and I can't run anything
+for a different arch. These are a subset from [lammps-matrix](https://github.com/rse-ops/lammps-matrix/pkgs/container/lammps-matrix).
+Note that we have added a simple release workflow that generates [binaries](https://github.com/supercontainers/compspec-go/releases/tag/1-26-2024-2)
+that we can easily grab.
+
+```bash
+docker pull ghcr.io/rse-ops/lammps-matrix:intel-mpi-rocky-9-amd64
+```
+
+Let's use the [generate-artifact.sh](generate-artifact.sh) script, and inside the container, to do exactly that. Note that we have to
+source the /etc/profile to emulate what would happen on an entry to the container. Let's walk through how we'd do this with one container
+first, generating the artifact and [pushing to oras](https://oras.land/docs/how_to_guides/pushing_and_pulling/).
+
+```bash
+# create directory for output specs
+mkdir -p ./specs
+
+# arguments are the hasGpu command and the path for the artifact (relative to PWD)
+cmd=". /etc/profile && /tmp/data/generate-artifact.sh no /tmp/data/specs/compspec-intel-mpi-rocky-9-amd64.json"
+docker run -v $PWD:/tmp/data -it ghcr.io/rse-ops/lammps-matrix:intel-mpi-rocky-9-amd64 /bin/bash -c "$cmd"
+
+# This generates ./specs/compspec-intel-mpi-rocky-9-amd64.json, let's push to a registry with oras
+oras push ghcr.io/rse-ops/lammps-matrix:intel-mpi-rocky-9-amd64-compspec --artifact-type application/org.supercontainers.compspec ./specs/compspec-intel-mpi-rocky-9-amd64.json
+```
+
+Here is how we might see it:
+
+```bash
+oras blob fetch --output - ghcr.io/rse-ops/lammps-matrix:intel-mpi-rocky-9-amd64-compspec@sha256:b68136afad3e4340f0dd4e09c5fea7faf12306cb4b0c1de616703b00d6ffef78
+```
+```console
+{
+  "version": "0.0.0",
+  "kind": "CompatibilitySpec",
+  "metadata": {
+    "name": "lammps-prototype",
+    "jsonSchema": "https://raw.githubusercontent.com/supercontainers/compspec/main/supercontainers/compspec.json"
+  },
+  "compatibilities": [
+    {
+      "name": "org.supercontainers.mpi",
+      "version": "0.0.0",
+      "annotations": {
+        "implementation": "intel-mpi",
+        "version": "2021.8"
+      }
+    },
+    {
+      "name": "org.supercontainers.os",
+      "version": "0.0.0",
+      "annotations": {
+        "name": "Rocky Linux 9.3 (Blue Onyx)",
+        "release": "9.3",
+        "vendor": "rocky",
+        "version": "9.3"
+      }
+    },
+    {
+      "name": "org.supercontainers.hardware.gpu",
+      "version": "0.0.0",
+      "annotations": {
+        "available": "no"
+      }
+    },
+    {
+      "name": "io.archspec.cpu",
+      "version": "0.0.0",
+      "annotations": {
+        "model": "13th Gen Intel(R) Core(TM) i5-1335U",
+        "target": "amd64",
+        "vendor": "GenuineIntel"
+      }
+    }
+  ]
+}
+```
+
+This is great! Next we will capture the URIs of these together in a manifest and put into our compspec tool. TBA!

examples/check-lammps/generate-artifact.sh

@@ -0,0 +1,16 @@
+#!/bin/bash
+
+# This assumes binding the entire directory with this script and lammps-experiment.yaml
+hasGpu="${1:-no}"
+path="${2:-./compatibility-spec.json}"
+
+# Note that this is hard coded for amd64, for arm you would wantt o add -arm or ppc64le -ppc
+wget --quiet https://github.com/supercontainers/compspec-go/releases/download/1-26-2024-2/compspec
+chmod +x compspec
+
+# Download the spec for our compatibility artifact
+wget --quiet https://gist.githubusercontent.com/vsoch/fcd0f7d633860674cb085a8540ce4bb2/raw/880f3764b9394ccaa21fd768b235c7a89609aa65/lammps-experiment.yaml
+
+# Generate!
+./compspec create --in ./lammps-experiment.yaml -a custom.gpu.available=$hasGpu -o ${path}
+cat ${path}

examples/check-lammps/specs/compspec-intel-mpi-rocky-9-amd64.json

@@ -0,0 +1,44 @@
+{
+  "version": "0.0.0",
+  "kind": "CompatibilitySpec",
+  "metadata": {
+    "name": "lammps-prototype",
+    "jsonSchema": "https://raw.githubusercontent.com/supercontainers/compspec/main/supercontainers/compspec.json"
+  },
+  "compatibilities": [
+    {
+      "name": "org.supercontainers.mpi",
+      "version": "0.0.0",
+      "annotations": {
+        "implementation": "intel-mpi",
+        "version": "2021.8"
+      }
+    },
+    {
+      "name": "org.supercontainers.os",
+      "version": "0.0.0",
+      "annotations": {
+        "name": "Rocky Linux 9.3 (Blue Onyx)",
+        "release": "9.3",
+        "vendor": "rocky",
+        "version": "9.3"
+      }
+    },
+    {
+      "name": "org.supercontainers.hardware.gpu",
+      "version": "0.0.0",
+      "annotations": {
+        "available": "no"
+      }
+    },
+    {
+      "name": "io.archspec.cpu",
+      "version": "0.0.0",
+      "annotations": {
+        "model": "13th Gen Intel(R) Core(TM) i5-1335U",
+        "target": "amd64",
+        "vendor": "GenuineIntel"
+      }
+    }
+  ]
+}

examples/lammps-experiment.yaml

@@ -18,6 +18,14 @@ compatibilities:
     implementation: library.mpi.variant
     version: library.mpi.version
 
+- name: "org.supercontainers.os" 
+  version: "0.0.0"
+  annotations:
+    name: system.os.name
+    release: system.os.release
+    vendor: system.os.vendor
+    version: system.os.version
+
 # This is an example of a custom metadata attribute provided by the user (commandline)
 # It can override an actual attribute, or just be random / new, -o custom.gpu.available=yes
 - name: "org.supercontainers.hardware.gpu"