Lmod spider modules impl

Dockerfile

@@ -1,31 +1,80 @@
-FROM rockylinux/rockylinux:9
+# =========================
+# Stage 1: base (OOD + Lmod)
+# =========================
+FROM rockylinux/rockylinux:9 AS base
 LABEL maintainer="[email protected]; [email protected]"
 
 RUN dnf install -y https://yum.osc.edu/ondemand/4.0/ondemand-release-web-4.0-1.el9.noarch.rpm && \
-    dnf clean all && rm -rf /var/cache/dnf/*
-
-RUN dnf -y update && \
+    dnf -y update && \
     dnf install -y dnf-utils && \
     dnf config-manager --set-enabled crb && \
     dnf -y module enable nodejs:20 ruby:3.3 && \
     dnf install -y epel-release && \
-    dnf install -y procps libffi-devel python3-devel gcc && \
-    dnf install -y ondemand ondemand-dex && \
+    dnf install -y procps libffi-devel python3-devel gcc libstdc++ zlib openssl && \
+    dnf install -y --nogpgcheck ondemand ondemand-dex && \
+    dnf install -y Lmod && \
     dnf clean all && rm -rf /var/cache/dnf/*
 
-# RUN pip3 install 'setuptools_scm<7' && \
-RUN pip3 install jupyter
+# Patch OOD’s httpd config
+RUN sed -i 's|--rpm|--rpm -f --insecure|g' /etc/systemd/system/httpd.service.d/ood-portal.conf && \
+    systemctl enable httpd ondemand-dex
+
+# Create dev user
+RUN useradd jesse && chmod 600 /etc/shadow && \
+    echo 'jesse:password' | chpasswd
+
+# =========================
+# Stage 2: wheels (cached Python deps)
+# =========================
+FROM rockylinux/rockylinux:9 AS builder
+RUN dnf install -y python3 python3-pip gcc libffi-devel zlib-devel bzip2 bzip2-devel xz xz-devel
+WORKDIR /wheels
+
+RUN python3 -m pip install --upgrade pip wheel setuptools
+RUN pip wheel jupyterlab==3.6.3 -w /wheels
+RUN pip wheel jupyterlab==4.0.9 -w /wheels
+
+# =========================
+# Stage 3: apps layer
+# =========================
+FROM base AS apps
+
+# Bring in built wheels
+COPY --from=builder /wheels /tmp/wheels
+
+# Install into isolated venvs using wheels (no re-download)
+RUN python3 -m venv /opt/apps/jupyter/3.6.3 && \
+    /opt/apps/jupyter/3.6.3/bin/pip install --no-index --find-links /tmp/wheels jupyterlab==3.6.3 && \
+    python3 -m venv /opt/apps/jupyter/4.0.9 && \
+    /opt/apps/jupyter/4.0.9/bin/pip install --no-index --find-links /tmp/wheels jupyterlab==4.0.9
+
+# Modulefiles for Lmod
+COPY files/modulefiles /opt/modulefiles
+
+# Smoke test modules
+RUN bash -lc 'module use /opt/modulefiles && \
+    module load jupyter/3.6.3 && jupyter-lab --version && \
+    module swap jupyter/4.0.9 && jupyter-lab --version'
 
-RUN sed -i 's|--rpm|--rpm -f --insecure|g' /etc/systemd/system/httpd.service.d/ood-portal.conf
-RUN systemctl enable httpd ondemand-dex
+# Generate spider JSON for OOD auto_modules
+RUN bash -lc 'module use /opt/modulefiles && \
+    tmp=$(mktemp) && \
+    $LMOD_DIR/spider -o spider-json "$MODULEPATH" > "$tmp" && \
+    mkdir -p /etc/ood/config/modules && \
+    mv "$tmp" /etc/ood/config/modules/localhost.json && \
+    chmod 644 /etc/ood/config/modules/localhost.json && \
+    chmod 755 /etc/ood/config/modules'
 
-RUN useradd jesse
-RUN chmod 600 /etc/shadow
+# =========================
+# Stage 4: final image (volatile files last)
+# =========================
+FROM apps
 
+# Put frequently changed configs at the end so edits don’t bust cache
 COPY files/ood_portal.yml /etc/ood/config/ood_portal.yml
 COPY files/clusters.d /etc/ood/config/clusters.d
 COPY files/apps /var/www/ood/apps/sys/
 COPY files/config /etc/ood/config/apps/
 COPY files/motd.md /etc/motd.md
 
-CMD [ "/sbin/init" ]
+CMD ["/sbin/init"]

files/apps/jupyter/form.yml

@@ -1,5 +1,13 @@
-cluster: localhost
-
+---
+cluster: "localhost"
 
 form:
   - bc_num_hours
+  - auto_modules_jupyter
+
+attributes:
+  auto_modules_jupyter:
+    widget: "select"
+    label: "Jupyter Version"
+    help: "Select which JupyterLab module to load"
+    default: false

files/apps/jupyter/manifest.yml

@@ -4,4 +4,4 @@ category: Interactive Apps
 subcategory: Servers
 role: batch_connect
 description: |
-  This app will launch a JupyterLab.
+  This app will launch a JupyterLab session with selectable versions.

files/apps/jupyter/submit.yml.erb

@@ -1,5 +1,7 @@
-# Job submission configuration file
-#
 ---
 batch_connect:
   template: "basic"
+
+script:
+  native:
+    - "--ntasks=1"

files/apps/jupyter/template/after.sh.erb

@@ -0,0 +1,20 @@
+# Wait for the Jupyter server to start
+echo "Waiting for Jupyter server to open port ${port}..."
+if wait_until_port_used "${host}:${port}" 600; then
+  echo "Discovered Jupyter server listening on port ${port}!"
+else
+  echo "Timed out waiting for Jupyter server to open port ${port}!"
+  clean_up 1
+fi
+sleep 2
+
+# Write connection.yml so OOD can display the session
+(
+  umask 077
+  cat > connection.yml << EOL
+---
+host: "${host}"
+port: "${port}"
+password: "${password}"
+EOL
+)

files/apps/jupyter/template/before.sh.erb

@@ -56,3 +56,13 @@ c.NotebookApp.notebook_dir = '${HOME}'
 c.NotebookApp.disable_check_xsrf = True
 EOL
 )
+
+if [ -f /usr/share/lmod/lmod/init/bash ]; then
+  source /usr/share/lmod/lmod/init/bash
+fi
+
+module purge
+module use /opt/modulefiles
+module load <%= context.auto_modules_jupyter %>
+
+which jupyter || echo "Jupyter not found!"

files/apps/jupyter/template/script.sh.erb

@@ -6,10 +6,6 @@ echo "TIMING - Starting main script at: $(date)"
 # Set working directory to home directory
 cd "${HOME}"
 
-#
-# Start Jupyter Notebook Server
-#
-
 # Benchmark info
 echo "TIMING - Starting jupyter at: $(date)"
 

files/clusters.d/localhost.yml

@@ -5,3 +5,6 @@ v2:
     host: localhost
   metadata:
     title: Localhost
+  batch_connect:
+    basic:
+      module_file_dir: "/etc/ood/config/modules"

files/config/dashboard/env

@@ -1,2 +1,4 @@
 MOTD_PATH=/etc/motd.md
-MOTD_FORMAT='markdown'
+MOTD_FORMAT='markdown'
+OOD_BC_DYNAMIC_JS=TRUE
+OOD_MODULE_FILE_DIR=/etc/ood/config/modules

files/config/dashboard/initializers/localhost.rb

@@ -1,6 +1,6 @@
 Rails.application.config.after_initialize do
   require 'ood_core'
-  
+
   class OodCore::Job::Adapters::Localhost < OodCore::Job::Adapter
 
     def submit(script, after: [], afterok: [], afternotok: [], afterany: [])
@@ -13,7 +13,7 @@ def submit(script, after: [], afterok: [], afternotok: [], afterany: [])
 
       File.open(file, 'w') { |f| f.write(content) }
       FileUtils.chmod(0755, file)
-      
+
       pid = spawn(file, [:out, :err] => [script.output_path, 'w'])
       Process.detach(pid)
       pid
@@ -36,13 +36,13 @@ def info(id)
 
     def delete(id)
       pinfo = Process.getpgid(id.to_i)
-      Process.kill('TERM', id.to_i)    
+      Process.kill('TERM', id.to_i)
     end
 
     def info_all(attrs: nil)
       []
     end
-  end  
+  end
 
   class OodCore::Job::Factory
     def self.build_localhost(config = {})
@@ -72,4 +72,4 @@ def self.build(config)
       send(adapter_method, c)
     end
   end
-end
+end

files/modulefiles/jupyter/3.6.3.lua

@@ -0,0 +1,9 @@
+help([[
+JupyterLab 3.6.3
+]])
+whatis("Name: JupyterLab")
+whatis("Version: 3.6.3")
+family("jupyter")
+
+local root = "/opt/apps/jupyter/3.6.3"
+prepend_path("PATH", pathJoin(root, "bin"))

files/modulefiles/jupyter/4.0.9.lua

@@ -0,0 +1,9 @@
+help([[
+JupyterLab 4.0.9
+]])
+whatis("Name: JupyterLab")
+whatis("Version: 4.0.9")
+family("jupyter")
+
+local root = "/opt/apps/jupyter/4.0.9"
+prepend_path("PATH", pathJoin(root, "bin"))

files/ood_portal.yml

@@ -5,14 +5,14 @@ listen_addr_port: 8080
 oidc_remote_user_claim: email
 dex:
   static_passwords:
-  - email: jesse@localhost
-    password: owens
-    username: jesse
-    userID: 7e3146ab-83fb-4642-ad0d-3120a76bfd9a
+    - email: jesse@localhost
+      password: owens
+      username: jesse
+      userID: 7e3146ab-83fb-4642-ad0d-3120a76bfd9a
   frontend:
     extra:
-      loginLogo: '/public/login.png'
+      loginLogo: "/public/login.png"
 
-rnode_uri: '/rnode'
-node_uri: '/node'
-host_regex: 'ood\.demo'
+rnode_uri: "/rnode"
+node_uri: "/node"
+host_regex: 'ood\.demo'

lib/utils.rb

@@ -41,4 +41,4 @@ def build_cmd
   else
     docker_build_cmd
   end
-end
+end