Merge branch 'master' of https://gitlab.version.fz-juelich.de/jupyter4jsc/j4j_notebooks

95f9d1a1 · Jens Henrik Goebbert · 306c8f75 · 54907dd8 · 95f9d1a1
Commit 95f9d1a1 authored 3 years ago by Jens Henrik Goebbert
--- a/002-Methods/002-Data/Install_UserSoftware.ipynb
+++ b/002-Methods/002-Data/Install_UserSoftware.ipynb
+{
+ "cells": [
+  {
+   "attachments": {
+    "67258d94-84e6-4a0c-ae8f-c74332ec082e.jpg": {
+     "image/jpeg": 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"
+    }
+   },
+   "cell_type": "markdown",
+   "metadata": {
+    "toc-hr-collapsed": false
+   },
+   "source": [
+    "![jsc-logo.jpg](attachment:67258d94-84e6-4a0c-ae8f-c74332ec082e.jpg)\n",
+    "Author: [Jens Henrik Göbbert](mailto:j.goebbert@fz-juelich.de)\n",
+    "------------------------------------"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {
+    "toc-hr-collapsed": false
+   },
+   "source": [
+    "# How to install User Software using EasyBuild\n",
+    "\n",
+    "[EasyBuild](https://www.easybuild.io) is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way.  \n",
+    "All software modules you can load with `module load` on the supercomputers at the Jülich Supercomputing Centre (JSC) was installed using EasyBuild.\n",
+    "\n",
+    "There are multiple reasons for a build & installation framework like [EasyBuild](https://easybuild.io).  \n",
+    "And some reasons are not only convincing for HPC centers but also for HPC users:  \n",
+    "- fully automates software builds\n",
+    "- allows for easily reproducing previous builds\n",
+    "- keep the software build recipes/specifications simple and human-readable\n",
+    "- supports co-existence of versions/builds via dedicated installation prefix and module files\n",
+    "- automagic dependency resolution\n",
+    "- ...\n",
+    "  \n",
+    "<div class=\"alert alert-block alert-info\">\n",
+    "<b>UserInstallations</b></br>\n",
+    "allow you to easily install software for your own use or for everyone in your compute-time project.</br>  \n",
+    "</div>\n",
+    "This notebook shows you how to make and load your own first software module.\n",
+    "\n",
+    "-------------------------"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Introduction\n",
+    "\n",
+    "Whenever you want to load a certain software module you call `module load <software>` .   \n",
+    "This command searches all paths in `$MODULEPATH` for a matching configuration file.\n",
+    "\n",
+    "In general you start loading first a software stage, then a compiler and after that a MPI.  \n",
+    "e.g. `module load Stages/2020 GCC/10.3.0 ParaStationMPI`\n",
+    "\n",
+    "These special modules (stages, compilers, MPIs) additionally extend the module paths in `$MODULEPATH` .  \n",
+    "It ensures that you can load further modules, which fit to the loaded stage, compiler and MPI.\n",
+    "\n",
+    "Now, if compatible private or project software modules are installed (by yourself or someone in your project)  \n",
+    "the module paths is **additionally extended** by the special modules (compilers, MPIs) with ...  \n",
+    "\n",
+    "<div class=\"alert alert-block alert-info\">\n",
+    "<b>User-specific module paths</b></br>\n",
+    "<ul>\n",
+    "  <li>\\$HOME/easybuild</li>\n",
+    "  <li>\\$PROJECT/easybuild</li>\n",
+    "</ul>\n",
+    "</div>\n",
+    "\n",
+    "The hierarchy of preference is `$HOME/easybuild` highest, then `$PROJECT/easybuild`, then the system installation:"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "#### 1) Private Software Modules -> $HOME/easybuild\n",
+    "The symlink directory `$HOME/easybuild` can exist if you have created it. It is not available by default.  \n",
+    "**ATTENTION:**  \n",
+    "It must be a link to a place outside of `$HOME`, e.g. to `$PROJECT/$USER/easybuild` because of disk-quota limitations in `$HOME` .  \n",
+    "\n",
+    "#### 2) Project Software Modules -> $PROJECT/easybuild\n",
+    "The directory `$PROJECT/easybuild` can exist if anyone of the project has created it. It is not available by default.  \n",
+    "**ATTENTION:**  \n",
+    "Unlike the environment variable `$HOME`, which is set at login, `$PROJECT` is **NOT**  \n",
+    "You must call `jutil env activate -p <projectname>` before or set it manually with `export PROJECT=<path>` .  \n",
+    "\n",
+    "#### 3) System Software Modules -> /p/software/\\<systemname>\n",
+    "Most software modules are of course installed in the system-wide module paths.  \n",
+    "This paths are searched for at last and therefore you are free to overwrite software modules with private or project software modules.  \n",
+    "\n",
+    "<div class=\"alert alert-block alert-info\">\n",
+    "<b>ATTENTION:</b></br>\n",
+    "\\$HOME and \\$PROJECT are variables that can change depending on your current enviroment.</br>  \n",
+    "This can be a benefit as long as you are aware of it.\n",
+    "</div>"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "----------------------------\n",
+    "\n",
+    "## Preparing the Environment\n",
+    "- Check/Create installation directories\n",
+    "- Load appropriate modules"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# INPUT NEEDED:\n",
+    "export EBINST_TYPE=private # project\n",
+    "\n",
+    "# Ensure private over project installation\n",
+    "if [ \"${EBINST_TYPE}\" == \"private\" ]; then\n",
+    "  export PREFER_USER=1\n",
+    "fi"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "PROJECT=/p/project/ccstvs\n"
+     ]
+    }
+   ],
+   "source": [
+    "# Check for environment variable $PROJECT\n",
+    "\n",
+    "# export PROJECT=/p/project/<projectname>\n",
+    "#   or\n",
+    "# jutil env activate -p <projectname>\n",
+    "if [ -z $PROJECT ]; then\n",
+    "  echo '$PROJECT not set.'\n",
+    "  echo 'Please set $PROJECT first.'\n",
+    "else\n",
+    "  if [ ! -d \"$PROJECT\" ]; then \n",
+    "    echo \"ERROR: $PROJECT is not a valid directory\"\n",
+    "  else\n",
+    "    echo \"PROJECT=$PROJECT\"\n",
+    "  fi\n",
+    "fi"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "$HOME/easybuild -> /p/project/ccstvs/goebbert1/easybuild\n"
+     ]
+    }
+   ],
+   "source": [
+    "# Check/Create installation directories\n",
+    "\n",
+    "# private installation -> $HOME/easybuild\n",
+    "if [ \"${EBINST_TYPE}\" == \"private\" ]; then\n",
+    "  if [ ! -d \"$HOME/easybuild\" ]; then\n",
+    "    mkdir -p $PROJECT/$USER/easybuild\n",
+    "    ln -s $PROJECT/$USER/easybuild $HOME/easybuild\n",
+    "    echo 'Directory created, Link set: $HOME/easybuild -> $PROJECT/$USER/easybuild'\n",
+    "  else\n",
+    "    if [ ! -L \"$HOME/easybuild\" ]; then\n",
+    "      echo 'ERROR: $HOME/easybuild is needs to be a _LINK_.'\n",
+    "    fi\n",
+    "  fi\n",
+    "  echo \"\\$HOME/easybuild -> $(readlink $HOME/easybuild)\"\n",
+    "fi\n",
+    "\n",
+    "# project installation -> $PROJECT/easybuild\n",
+    "if [ \"${EBINST_TYPE}\" == \"project\" ]; then\n",
+    "  if [ ! -d \"$PROJECT/easybuild\" ]; then\n",
+    "    mkdir -p $PROJECT/easybuild\n",
+    "    echo 'Directory created: $PROJECT/easybuild'\n",
+    "  fi\n",
+    "  echo \"\\$PROJECT/easybuild == $PROJECT/easybuild\"\n",
+    "fi"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {
+    "scrolled": true
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "        Preparing the environment for use of requested stage ( 2020 ).\n",
+      "    \n",
+      "\u001b[01;33m\n",
+      "Performing a personal installation. To do a project wide installation,\n",
+      "set the $PROJECT environment variable (for example via jutil).\n",
+      "\u001b[0m \n",
+      "\u001b[01;32m** LOADING USERSPACE DEVELOPER CONFIGURATION **\u001b[0m\n",
+      "\n",
+      "Preparing the environment for software installation via EasyBuild into\n",
+      "userspace leveraging stage 2020\n",
+      "\n",
+      "  - Adding our license servers to LM_LICENSE_FILE\n",
+      "  - Giving priority to JSC custom Toolchains (EASYBUILD_INCLUDE_TOOLCHAINS)\n",
+      "  - Giving priority to JSC custom EasyBlocks (EASYBUILD_INCLUDE_EASYBLOCKS)\n",
+      "  - Giving priority to JSC custom easyconfigs (EASYBUILD_ROBOT)\n",
+      "  - Allowing searching of distribution easyconfigs (EASYBUILD_SEARCH_PATHS)\n",
+      "  - To keep module view clean, hiding some dependencies (EASYBUILD_HIDE_DEPS)\n",
+      "  - Using JSC EasyBuild hooks (EASYBUILD_HOOKS)\n",
+      "\n",
+      "\u001b[01;33m  - Setting EASYBUILD_PARALLEL to 8\u001b[0m\n",
+      "\u001b[01;33m  - Setting EASYBUILD_OPTARCH to Intel:march=core-avx2\u001b[0m\n",
+      "\n",
+      "\u001b[01;33mNote: If you wish to submit software builds to slurm with the '--job'\n",
+      "flag you will need to set environment variables to configure job submission,\n",
+      "see\n",
+      "https://slurm.schedmd.com/sbatch.html#lbAJ\n",
+      "for details.\n",
+      "\u001b[0m \n",
+      "        Preparing the environment for use of requested stage ( 2020 ).\n",
+      "    \n",
+      "\u001b[01;33m\n",
+      "Performing a personal installation. To do a project wide installation,\n",
+      "set the $PROJECT environment variable (for example via jutil).\n",
+      "\u001b[0m \n",
+      "\u001b[01;32m** LOADING USERSPACE DEVELOPER CONFIGURATION **\u001b[0m\n",
+      "\n",
+      "Preparing the environment for software installation via EasyBuild into\n",
+      "userspace leveraging stage 2020\n",
+      "\n",
+      "  - Adding our license servers to LM_LICENSE_FILE\n",
+      "  - Giving priority to JSC custom Toolchains (EASYBUILD_INCLUDE_TOOLCHAINS)\n",
+      "  - Giving priority to JSC custom EasyBlocks (EASYBUILD_INCLUDE_EASYBLOCKS)\n",
+      "  - Giving priority to JSC custom easyconfigs (EASYBUILD_ROBOT)\n",
+      "  - Allowing searching of distribution easyconfigs (EASYBUILD_SEARCH_PATHS)\n",
+      "  - To keep module view clean, hiding some dependencies (EASYBUILD_HIDE_DEPS)\n",
+      "  - Using JSC EasyBuild hooks (EASYBUILD_HOOKS)\n",
+      "\n",
+      "\u001b[01;33m  - Setting EASYBUILD_PARALLEL to 8\u001b[0m\n",
+      "\u001b[01;33m  - Setting EASYBUILD_OPTARCH to Intel:march=core-avx2\u001b[0m\n",
+      "\n",
+      "\u001b[01;33mNote: If you wish to submit software builds to slurm with the '--job'\n",
+      "flag you will need to set environment variables to configure job submission,\n",
+      "see\n",
+      "https://slurm.schedmd.com/sbatch.html#lbAJ\n",
+      "for details.\n",
+      "\u001b[0m \n"
+     ]
+    }
+   ],
+   "source": [
+    "# Load appropriate modules\n",
+    "module load Stages/2020\n",
+    "module load UserInstallations\n",
+    "module update"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "-------------------\n",
+    "\n",
+    "## Additional Informations\n",
+    "All toolchains are supported except the toolchain `SYSTEM`."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "<div class=\"alert alert-block alert-info\">\n",
+    "<b>ATTENTION:</b> \\$PROJECT gets evaluated to fill \\$MODULEPATH</br>  \n",
+    "Therefore you <b>MUST</b> call \"module update\" everytime you change \\$PROJECT` after loading any modules.</br>  \n",
+    "If you forget the update \\$MODULEPATH will not be changed and still points to paths from your previous value of \\$PROJECT.</br>  \n",
+    "</div>  "
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Bash",
+   "language": "bash",
+   "name": "bash"
+  },
+  "language_info": {
+   "codemirror_mode": "shell",
+   "file_extension": ".sh",
+   "mimetype": "text/x-sh",
+   "name": "bash"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
+%% Cell type:markdown id: tags:
+![jsc-logo.jpg](attachment:67258d94-84e6-4a0c-ae8f-c74332ec082e.jpg)
+Author: [Jens Henrik Göbbert](mailto:j.goebbert@fz-juelich.de)
+------------------------------------
+%% Cell type:markdown id: tags:
+# How to install User Software using EasyBuild
+[EasyBuild](https://www.easybuild.io) is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way.
+All software modules you can load with `module load` on the supercomputers at the Jülich Supercomputing Centre (JSC) was installed using EasyBuild.
+There are multiple reasons for a build & installation framework like [EasyBuild](https://easybuild.io).
+And some reasons are not only convincing for HPC centers but also for HPC users:
+- fully automates software builds
+- allows for easily reproducing previous builds
+- keep the software build recipes/specifications simple and human-readable
+- supports co-existence of versions/builds via dedicated installation prefix and module files
+- automagic dependency resolution
+- ...
+<div class="alert alert-block alert-info">
+<b>UserInstallations</b></br>
+allow you to easily install software for your own use or for everyone in your compute-time project.</br>
+</div>
+This notebook shows you how to make and load your own first software module.
+-------------------------
+%% Cell type:markdown id: tags:
+## Introduction
+Whenever you want to load a certain software module you call `module load <software>` .
+This command searches all paths in `$MODULEPATH` for a matching configuration file.
+In general you start loading first a software stage, then a compiler and after that a MPI.
+e.g. `module load Stages/2020 GCC/10.3.0 ParaStationMPI`
+These special modules (stages, compilers, MPIs) additionally extend the module paths in `$MODULEPATH` .
+It ensures that you can load further modules, which fit to the loaded stage, compiler and MPI.
+Now, if compatible private or project software modules are installed (by yourself or someone in your project)
+the module paths is **additionally extended** by the special modules (compilers, MPIs) with ...
+<div class="alert alert-block alert-info">
+<b>User-specific module paths</b></br>
+<ul>
+  <li>\$HOME/easybuild</li>
+  <li>\$PROJECT/easybuild</li>
+</ul>
+</div>
+The hierarchy of preference is `$HOME/easybuild` highest, then `$PROJECT/easybuild`, then the system installation:
+%% Cell type:markdown id: tags:
+#### 1) Private Software Modules -> $HOME/easybuild
+The symlink directory `$HOME/easybuild` can exist if you have created it. It is not available by default.
+**ATTENTION:**
+It must be a link to a place outside of `$HOME`, e.g. to `$PROJECT/$USER/easybuild` because of disk-quota limitations in `$HOME` .
+#### 2) Project Software Modules -> $PROJECT/easybuild
+The directory `$PROJECT/easybuild` can exist if anyone of the project has created it. It is not available by default.
+**ATTENTION:**
+Unlike the environment variable `$HOME`, which is set at login, `$PROJECT` is **NOT**
+You must call `jutil env activate -p <projectname>` before or set it manually with `export PROJECT=<path>` .
+#### 3) System Software Modules -> /p/software/\<systemname>
+Most software modules are of course installed in the system-wide module paths.
+This paths are searched for at last and therefore you are free to overwrite software modules with private or project software modules.
+<div class="alert alert-block alert-info">
+<b>ATTENTION:</b></br>
+\$HOME and \$PROJECT are variables that can change depending on your current enviroment.</br>
+This can be a benefit as long as you are aware of it.
+</div>
+%% Cell type:markdown id: tags:
+----------------------------
+## Preparing the Environment
+- Check/Create installation directories
+- Load appropriate modules
+%% Cell type:code id: tags:
+``` bash
+# INPUT NEEDED:
+export EBINST_TYPE=private # project
+# Ensure private over project installation
+if [ "${EBINST_TYPE}" == "private" ]; then
+  export PREFER_USER=1
+fi
+```
+%% Cell type:code id: tags:
+``` bash
+# Check for environment variable $PROJECT
+# export PROJECT=/p/project/<projectname>
+#   or
+# jutil env activate -p <projectname>
+if [ -z $PROJECT ]; then
+  echo '$PROJECT not set.'
+  echo 'Please set $PROJECT first.'
+else
+  if [ ! -d "$PROJECT" ]; then
+    echo "ERROR: $PROJECT is not a valid directory"
+  else
+    echo "PROJECT=$PROJECT"
+  fi
+fi
+```
+%% Output
+    PROJECT=/p/project/ccstvs
+%% Cell type:code id: tags:
+``` bash
+# Check/Create installation directories
+# private installation -> $HOME/easybuild
+if [ "${EBINST_TYPE}" == "private" ]; then
+  if [ ! -d "$HOME/easybuild" ]; then
+    mkdir -p $PROJECT/$USER/easybuild
+    ln -s $PROJECT/$USER/easybuild $HOME/easybuild
+    echo 'Directory created, Link set: $HOME/easybuild -> $PROJECT/$USER/easybuild'
+  else
+    if [ ! -L "$HOME/easybuild" ]; then
+      echo 'ERROR: $HOME/easybuild is needs to be a _LINK_.'
+    fi
+  fi
+  echo "\$HOME/easybuild -> $(readlink $HOME/easybuild)"
+fi
+# project installation -> $PROJECT/easybuild
+if [ "${EBINST_TYPE}" == "project" ]; then
+  if [ ! -d "$PROJECT/easybuild" ]; then
+    mkdir -p $PROJECT/easybuild
+    echo 'Directory created: $PROJECT/easybuild'
+  fi
+  echo "\$PROJECT/easybuild == $PROJECT/easybuild"
+fi
+```
+%% Output
+    $HOME/easybuild -> /p/project/ccstvs/goebbert1/easybuild
+%% Cell type:code id: tags:
+``` bash
+# Load appropriate modules
+module load Stages/2020
+module load UserInstallations
+module update
+```
+%% Output
+            Preparing the environment for use of requested stage ( 2020 ).
+    [01;33m
+    Performing a personal installation. To do a project wide installation,
+    set the $PROJECT environment variable (for example via jutil).
+    [0m
+    [01;32m** LOADING USERSPACE DEVELOPER CONFIGURATION **[0m
+    Preparing the environment for software installation via EasyBuild into
+    userspace leveraging stage 2020
+      - Adding our license servers to LM_LICENSE_FILE
+      - Giving priority to JSC custom Toolchains (EASYBUILD_INCLUDE_TOOLCHAINS)
+      - Giving priority to JSC custom EasyBlocks (EASYBUILD_INCLUDE_EASYBLOCKS)
+      - Giving priority to JSC custom easyconfigs (EASYBUILD_ROBOT)
+      - Allowing searching of distribution easyconfigs (EASYBUILD_SEARCH_PATHS)
+      - To keep module view clean, hiding some dependencies (EASYBUILD_HIDE_DEPS)
+      - Using JSC EasyBuild hooks (EASYBUILD_HOOKS)
+    [01;33m  - Setting EASYBUILD_PARALLEL to 8[0m
+    [01;33m  - Setting EASYBUILD_OPTARCH to Intel:march=core-avx2[0m
+    [01;33mNote: If you wish to submit software builds to slurm with the '--job'
+    flag you will need to set environment variables to configure job submission,
+    see
+    https://slurm.schedmd.com/sbatch.html#lbAJ
+    for details.
+    [0m
+            Preparing the environment for use of requested stage ( 2020 ).
+    [01;33m
+    Performing a personal installation. To do a project wide installation,
+    set the $PROJECT environment variable (for example via jutil).
+    [0m
+    [01;32m** LOADING USERSPACE DEVELOPER CONFIGURATION **[0m
+    Preparing the environment for software installation via EasyBuild into
+    userspace leveraging stage 2020
+      - Adding our license servers to LM_LICENSE_FILE
+      - Giving priority to JSC custom Toolchains (EASYBUILD_INCLUDE_TOOLCHAINS)
+      - Giving priority to JSC custom EasyBlocks (EASYBUILD_INCLUDE_EASYBLOCKS)
+      - Giving priority to JSC custom easyconfigs (EASYBUILD_ROBOT)
+      - Allowing searching of distribution easyconfigs (EASYBUILD_SEARCH_PATHS)
+      - To keep module view clean, hiding some dependencies (EASYBUILD_HIDE_DEPS)
+      - Using JSC EasyBuild hooks (EASYBUILD_HOOKS)
+    [01;33m  - Setting EASYBUILD_PARALLEL to 8[0m
+    [01;33m  - Setting EASYBUILD_OPTARCH to Intel:march=core-avx2[0m
+    [01;33mNote: If you wish to submit software builds to slurm with the '--job'
+    flag you will need to set environment variables to configure job submission,
+    see
+    https://slurm.schedmd.com/sbatch.html#lbAJ
+    for details.
+    [0m
+%% Cell type:markdown id: tags:
+-------------------
+## Additional Informations
+All toolchains are supported except the toolchain `SYSTEM`.
+%% Cell type:markdown id: tags:
+<div class="alert alert-block alert-info">
+<b>ATTENTION:</b> \$PROJECT gets evaluated to fill \$MODULEPATH</br>
+Therefore you <b>MUST</b> call "module update" everytime you change \$PROJECT` after loading any modules.</br>
+If you forget the update \$MODULEPATH will not be changed and still points to paths from your previous value of \$PROJECT.</br>
+</div>