Added spack module

.github/workflows/create-deployment-spack.yml

@@ -16,19 +16,25 @@ on:
         required: true
         default: main
         description: A version of ACCESS-NRI/spack-config
-      deployment-location:
+      spack-deployment-location:
         type: string
         required: true
         description: |
           A path in the deployment environment where Spack should be created.
           For example, if it is `opt/spack`, spack will be installed under `opt/spack/<spack-version>/`
+      module-deployment-location:
+        type: string
+        required: true
+        description: |
+          A path in the deployment environment where modules referencing the deployed Spack should be created.
+          For example, if it is `opt/modules/spack` for spack v1.1, the modulefile created will be under `opt/modules/spack/1.1`
 jobs:
   log-inputs:
     name: Log Inputs
     runs-on: ubuntu-latest
     steps:
       - run: |
-          echo '::notice::url = `${{ inputs.spack-git-url }}`, spack version = `${{ inputs.spack-version }}`, spack-config version = `${{ inputs.spack-config-version }}`, deployment location = `${{ inputs.deployment-location }}`'
+          echo '::notice::url = `${{ inputs.spack-git-url }}`, spack version = `${{ inputs.spack-version }}`, spack-config version = `${{ inputs.spack-config-version }}`, deployment location = `${{ inputs.spack-deployment-location }}`, module location = `${{ inputs.module-deployment-location }}`'
 
   create-spack:
     name: Spack
@@ -48,11 +54,12 @@ jobs:
         id: strip
         # this step removes the 'release/' part from some spack tags, so our
         # directory structure doesn't contain a 'releases' subdirectory
-        run: echo "version-dir=$(echo '${{ inputs.spack-version }}' | cut --delimiter 'v' --fields 2)" >> $GITHUB_OUTPUT
+        run: echo "version=$(echo '${{ inputs.spack-version }}' | cut --delimiter 'v' --fields 2)" >> $GITHUB_OUTPUT
 
       - name: Install
+        id: spack-install
         env:
-          ROOT_VERSION_LOCATION: ${{ inputs.deployment-location }}/${{ steps.strip.outputs.version-dir }}
+          ROOT_VERSION_LOCATION: ${{ inputs.spack-deployment-location }}/${{ steps.strip.outputs.version }}
         # This step will fail if `mkdir` fails to create a version directory (e.g. `0.20` is already deployed and exists)
         run: |
           ssh ${{ secrets.SSH_USER }}@${{ secrets.SSH_HOST }} -i ${{ steps.ssh.outputs.private-key-path }} /bin/bash <<'EOT'
@@ -74,3 +81,20 @@ jobs:
 
           . ${{ env.ROOT_VERSION_LOCATION }}/spack/share/spack/setup-env.sh
           spack -d bootstrap now
+
+      - name: Checkout build-cd for modulefiles
+        uses: actions/checkout@v6
+
+      - name: Deploy modulefiles
+        run: |
+          rsync --archive \
+            -i ${{ steps.ssh.outputs.private-key-path }} \
+            tools/modules/spack/bash_script.sh \
+            ${{ secrets.SSH_USER }}@${{ secrets.SSH_HOST }}:${{ inputs.module-deployment-location }}/.${{ steps.strip.outputs.version }}.sh
+
+          rsync --archive \
+            -i ${{ steps.ssh.outputs.private-key-path }} \
+            tools/modules/spack/modulefile \
+            ${{ secrets.SSH_USER }}@${{ secrets.SSH_HOST }}:${{ inputs.module-deployment-location }}/${{ steps.strip.outputs.version }}
+
+          echo "::notice::Modulefiles for ${{ steps.strip.outputs.version }} deployed. This does not affect the default module."

tools/modules/spack/.modulerc

@@ -0,0 +1,2 @@
+#%Module1.0
+module-version spack/1.1 default

tools/modules/spack/bash_script.sh

@@ -0,0 +1,159 @@
+# Set TCL variables passed as arguments
+# old environment env var
+old_env_var_name="$1"
+# setup-env script
+setup_env_script="$2"
+# python path used by spack
+spack_python="$3"
+# spack root
+spack_root="$4"
+
+# Create a name reference variable, so we can use the reference to dynamically set/update the variable
+declare -n old_env_var_reference="$old_env_var_name"
+
+# Set regex for bash functions in the environment printout
+function_regex='^BASH_FUNC_(.+)%%=\(\) (.*)'
+
+# ==============================================================================
+# Capture the environment and aliases before sourcing the setup-env script
+# ==============================================================================
+# Functions and variables
+declare -A before_functions
+declare -A before_variables
+while IFS= read -r -d '' entry; do
+    if [[ "$entry" =~ $function_regex ]]; then
+        # Set function
+        name="${BASH_REMATCH[1]}"
+        value="${BASH_REMATCH[2]}"
+        before_functions["$name"]="$value"
+    else
+        # Set variable
+        name="${entry%%=*}"
+        value="${entry#*=}"
+        before_variables["$name"]="$value"
+    fi
+done < <(env -0)
+#Aliases
+declare -A before_aliases
+while IFS= read -r entry; do
+    entry="${entry#alias }"
+    name="${entry%%=*}"
+    value="${entry#*=}"
+    before_aliases["$name"]="$value"
+done < <(alias -p)
+
+# ==============================================================================
+# Source the setup-env script
+# ==============================================================================
+# Set up SPACK_PYTHON
+export SPACK_PYTHON="$spack_python"
+# Set up SPACK_ROOT
+export SPACK_ROOT="$spack_root"
+source "$setup_env_script" > /dev/null
+
+# ==============================================================================
+# Capture the environment and aliases after sourcing the setup-env script
+# ==============================================================================
+# Functions and variables
+declare -A after_functions
+declare -A after_variables
+while IFS= read -r -d '' entry; do
+    if [[ "$entry" =~ $function_regex ]]; then
+        # Set function
+        name="${BASH_REMATCH[1]}"
+        value="${BASH_REMATCH[2]}"
+        after_functions["$name"]="$value"
+    else
+        # Set variable
+        name="${entry%%=*}"
+        value="${entry#*=}"
+        after_variables["$name"]="$value"
+    fi
+done < <(env -0)
+# Aliases
+declare -A after_aliases
+while IFS= read -r entry; do
+    entry="${entry#alias }"
+    name="${entry%%=*}"
+    value="${entry#*=}"
+    after_aliases["$name"]="$value"
+done < <(alias -p)
+
+# ==============================================================================
+# Parse before and after variables, functions and aliases to find addition, changes and removals
+# ==============================================================================
+# FUNCTIONS
+# Added and changed
+for name in "${!after_functions[@]}"; do
+    value="${after_functions[$name]}"
+    if [[ ! -v before_functions["$name"] ]]; then 
+        # Added function: print command for it to be exported and record the command for it to be unset
+        printf '%s ; ' "${name}() $value ; export -f $name"
+        old_env_var_reference+=$(printf '%s ;' "unset -f $name")
+    elif [[ "${before_functions[$name]}" != "$value" ]]; then
+        # Changed function: print command for it to be exported and record command for it to be reinstated
+        printf '%s ; ' "${name}() $value ; export -f $name"
+        old_value="${before_functions["$name"]}"
+        old_env_var_reference+=$(printf '%s ; ' "${name}() $old_value ; export -f $name")
+    fi
+done
+# Removed
+for name in "${!before_functions[@]}"; do
+    if [[ ! -v after_functions["$name"] ]]; then
+        # Removed function: record command for it to be reinstated
+        old_value="${before_functions[$name]}"
+        old_env_var_reference+=$(printf '%s ; ' "${name}() $old_value ; export -f $name")
+    fi
+done
+# VARIABLES
+# Added and changed
+for name in "${!after_variables[@]}"; do
+    value="${after_variables[$name]}"
+    if [[ ! -v before_variables["$name"] ]]; then 
+        # Added variable: print command for it to be exported and record the command for it to be unset
+        printf '%s ; ' "export $name=$value"
+        old_env_var_reference+=$(printf '%s ; ' "unset $name")
+    elif [[ "${before_variables[$name]}" != "$value" ]]; then
+        # Changed variable: print command for it to be exported and record command for it to be reinstated
+        printf '%s ; ' "export $name=$value"
+        old_value="${before_variables["$name"]}"
+        old_env_var_reference+=$(printf '%s ; ' "export $name=$old_value")
+    fi
+done
+# Removed
+for name in "${!before_variables[@]}"; do
+    if [[ ! -v after_variables["$name"] ]]; then
+        # Removed variable: record command for it to be reinstated
+        old_value="${before_variables["$name"]}"
+        old_env_var_reference+=$(printf '%s ; ' "export $name=$old_value")
+    fi
+done
+# ALIASES
+# Added and changed
+for name in "${!after_aliases[@]}"; do
+    value="${after_aliases[$name]}"
+    if [[ ! -v before_aliases["$name"] ]]; then 
+        # Added aliase: print command for it to be set and record the command for it to be unset
+        printf '%s ; ' "alias $name=$value"
+        old_env_var_reference+=$(printf '%s ; ' "unalias $name")
+    elif [[ "${before_aliases[$name]}" != "$value" ]]; then
+        # Changed aliase: print command for it to be set and record command for it to be reinstated
+        printf '%s ; ' "alias $name=$value"
+        old_value="${before_aliases["$name"]}"
+        old_env_var_reference+=$(printf '%s ; ' "alias $name=$old_value")
+    fi
+done
+# Removed
+for name in "${!before_aliases[@]}"; do
+    if [[ ! -v after_aliases["$name"] ]]; then
+        # Removed aliase: record command for it to be unset
+        old_value="${before_aliases["$name"]}"
+        old_env_var_reference+=$(printf '%s ; ' "unalias $name")
+    fi
+done
+
+# Print a null character as a separator, to help splitting the commands to set the new environment
+# from those to reinstate the old environment
+printf '\x00'
+# Print the commands to reinstate the old environment
+echo "${!old_env_var_name}"

tools/modules/spack/modulefile

@@ -0,0 +1,82 @@
+#%Module1.0
+
+# Get module name and version
+lassign [split [module-info name] {/}] module_name module_version
+
+conflict $module_name
+
+# Get the spack root directory for the spack instance.
+# First, we get this modulefile parent directory, then we construct the spack root as 
+# <parent-directory>/../../apps/spack/<version>/spack
+set spack_module_dir [file dirname [info script]]
+set base_dir [file normalize "$spack_module_dir/../../apps/spack/$module_version"]
+set spack_root "$base_dir/spack"
+
+# Set spack setup-env.sh
+set setup_env "$spack_root/share/spack/setup-env.sh"
+
+# Set Python to be used with spack
+set spack_python /bin/python3
+
+# Set the name of the env variable used to store the current environment information so
+# the environment can be reinstated when this module is unloaded
+set old_env_var_name _SPACK_MODULE_OLD_ENV
+
+# If the module is loaded
+if {[module-info mode load]} {
+    ### Set spack environment
+    # Since the Module version is < 5.0 we cannot directly source spack's setup-env script within this modulefile.
+    # A work-around is to run a bash script that computes the environment before and after sourcing the spack's 
+    # setup-env and:
+    # - When the module is loaded, set the new variables and functions.
+    #   When the module is unloaded, unset them.
+    # - When the module is loaded, set the variables and functions that changed to their new values.
+    #   When the module is unloaded, re-set them to their old values.
+
+    # The bash script is in the same directory as this modulefile, and is named .<module_version>.sh
+    set bash_script "$spack_module_dir/.$module_version.sh"
+
+    # Run the bash script and capture its output into a variable
+    set bash_commands [exec /bin/bash $bash_script \
+      $old_env_var_name \
+      $setup_env \
+      $spack_python \
+      $spack_root]
+
+    # Split the variable with null character (\x00) to get the commands to set the new environment
+    # and those to reinstate the old environment
+    lassign [split $bash_commands "\x00"] new_env_commands old_env_commands
+
+    # Set the environment variable to reinstate the old environment
+    puts "export $old_env_var_name='$old_env_commands'"
+
+    # Set the new environment
+    puts $new_env_commands
+
+    puts stderr "Spack environment set up using $setup_env"
+} else {
+    # If the module is unloaded, we use the old_env_var_name env variable to reinstate the old
+    # environment
+    if {[info exists env($old_env_var_name)]} {
+        puts $env($old_env_var_name)
+        # Unset the old_env_var_name
+        puts "unset $old_env_var_name"
+    } else {
+        # If the old_env_var_name env variable doesn't exist, print out a warning message
+        puts stderr [string cat \
+            "WARNING: The $old_env_var_name env variable which stores the environment " \
+            "information prior to loading the $module_name module is not set. Environment restoration failed."
+        ]
+    }
+}
+
+# Set spack user cache path
+set spack_admin_config_env_var_name ACCESS_SPACK_ADMIN
+if { [info exists env($spack_admin_config_env_var_name)] } {
+    setenv SPACK_USER_CACHE_PATH "$base_dir/spack-admin-cache"
+} else {
+    setenv SPACK_USER_CACHE_PATH "/g/data/$env(PROJECT)/$env(USER)/spack/$module_version/spack-user-cache"
+    if {[module-info mode load]} {
+        puts stderr "Spack user cache set to $env(SPACK_USER_CACHE_PATH)"
+    }
+}