docs: overhaul module_file_support.rst (#42585)
The section was highly outdated as it referred to old defaults, and failed to mention `hide_implicits: true`. This commit restructures it, moves some deeply nested sections a level up, and promotes `hide_implicits: true` + `autoload: direct` before talking about `exclude`.
This commit is contained in:
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1 changed files with 222 additions and 184 deletions
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@ -10,7 +10,7 @@ Modules (modules.yaml)
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======================
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The use of module systems to manage user environment in a controlled way
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is a common practice at HPC centers that is often embraced also by
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is a common practice at HPC centers that is sometimes embraced also by
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individual programmers on their development machines. To support this
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common practice Spack integrates with `Environment Modules
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<http://modules.sourceforge.net/>`_ and `Lmod
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@ -21,14 +21,38 @@ Modules are one of several ways you can use Spack packages. For other
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options that may fit your use case better, you should also look at
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:ref:`spack load <spack-load>` and :ref:`environments <environments>`.
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----------------------------
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Using module files via Spack
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----------------------------
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-----------
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Quick start
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-----------
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If you have installed a supported module system you should be able to
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run ``module avail`` to see what module
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files have been installed. Here is sample output of those programs,
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showing lots of installed packages:
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In the current version of Spack, module files are not generated by default. To get started, you
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can generate module files for all currently installed packages by running either
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.. code-block:: console
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$ spack module tcl refresh
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or
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.. code-block:: console
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$ spack module lmod refresh
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Spack can also generate module files for all future installations automatically through the
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following configuration:
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.. code-block:: console
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$ spack config add modules:default:enable:[tcl]
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or
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.. code-block:: console
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$ spack config add modules:default:enable:[lmod]
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Assuming you have a module system installed, you should now be able to use the ``module`` command
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to interact with them:
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.. code-block:: console
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@ -65,33 +89,17 @@ scheme used at your site.
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Module file customization
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-------------------------
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Module files are generated by post-install hooks after the successful
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installation of a package.
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.. note::
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Spack only generates modulefiles when a package is installed. If
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you attempt to install a package and it is already installed, Spack
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will not regenerate modulefiles for the package. This may lead to
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inconsistent modulefiles if the Spack module configuration has
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changed since the package was installed, either by editing a file
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or changing scopes or environments.
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Later in this section there is a subsection on :ref:`regenerating
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modules <cmd-spack-module-refresh>` that will allow you to bring
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your modules to a consistent state.
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The table below summarizes the essential information associated with
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the different file formats that can be generated by Spack:
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+-----------------------------+--------------------+-------------------------------+----------------------------------------------+----------------------+
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| | **Hook name** | **Default root directory** | **Default template file** | **Compatible tools** |
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+=============================+====================+===============================+==============================================+======================+
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| **Tcl - Non-Hierarchical** | ``tcl`` | share/spack/modules | share/spack/templates/modules/modulefile.tcl | Env. Modules/Lmod |
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+-----------------------------+--------------------+-------------------------------+----------------------------------------------+----------------------+
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| **Lua - Hierarchical** | ``lmod`` | share/spack/lmod | share/spack/templates/modules/modulefile.lua | Lmod |
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+-----------------------------+--------------------+-------------------------------+----------------------------------------------+----------------------+
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+-----------+--------------+------------------------------+----------------------------------------------+----------------------+
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| | Hierarchical | **Default root directory** | **Default template file** | **Compatible tools** |
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+===========+==============+==============================+==============================================+======================+
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| ``tcl`` | No | share/spack/modules | share/spack/templates/modules/modulefile.tcl | Env. Modules/Lmod |
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+-----------+--------------+------------------------------+----------------------------------------------+----------------------+
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| ``lmod`` | Yes | share/spack/lmod | share/spack/templates/modules/modulefile.lua | Lmod |
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+-----------+--------------+------------------------------+----------------------------------------------+----------------------+
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Spack ships with sensible defaults for the generation of module files, but
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@ -102,7 +110,7 @@ In general you can override or extend the default behavior by:
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2. writing specific rules in the ``modules.yaml`` configuration file
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3. writing your own templates to override or extend the defaults
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The former method let you express changes in the run-time environment
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The former method lets you express changes in the run-time environment
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that are needed to use the installed software properly, e.g. injecting variables
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from language interpreters into their extensions. The latter two instead permit to
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fine tune the filesystem layout, content and creation of module files to meet
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@ -110,79 +118,62 @@ site specific conventions.
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.. _overide-api-calls-in-package-py:
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Override API calls in ``package.py``
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Setting environment variables dynamically in ``package.py``
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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There are two methods that you can override in any ``package.py`` to affect the
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content of the module files generated by Spack. The first one:
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There are two methods that you can implement in any ``package.py`` to dynamically affect the
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content of the module files generated by Spack. The most important one is
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``setup_run_environment``, which can be used to set environment variables in the module file that
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depend on the spec:
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.. code-block:: python
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def setup_run_environment(self, env):
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pass
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if self.spec.satisfies("+foo"):
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env.set("FOO", "bar")
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can alter the content of the module file associated with the same package where it is overridden.
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The second method:
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The second, less commonly used, is ``setup_dependent_run_environment(self, env, dependent_spec)``,
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which allows a dependency to set variables in the module file of its dependents. This is typically
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used in packages like ``python``, ``r``, or ``perl`` to prepend the dependent's prefix to the
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search path of the interpreter (``PYTHONPATH``, ``R_LIBS``, ``PERL5LIB`` resp.), so it can locate
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the packages at runtime.
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For example, a simplified version of the ``python`` package could look like this:
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.. code-block:: python
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def setup_dependent_run_environment(self, env, dependent_spec):
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pass
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if dependent_spec.package.extends(self.spec):
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env.prepend_path("PYTHONPATH", dependent_spec.prefix.lib.python)
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can instead inject run-time environment modifications in the module files of packages
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that depend on it. In both cases you need to fill ``env`` with the desired
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list of environment modifications.
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.. admonition:: The ``r`` package and callback APIs
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An example in which it is crucial to override both methods
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is given by the ``r`` package. This package installs libraries and headers
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in non-standard locations and it is possible to prepend the appropriate directory
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to the corresponding environment variables:
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================== =================================
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LD_LIBRARY_PATH ``self.prefix/rlib/R/lib``
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PKG_CONFIG_PATH ``self.prefix/rlib/pkgconfig``
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================== =================================
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with the following snippet:
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.. literalinclude:: _spack_root/var/spack/repos/builtin/packages/r/package.py
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:pyobject: R.setup_run_environment
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The ``r`` package also knows which environment variable should be modified
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to make language extensions provided by other packages available, and modifies
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it appropriately in the override of the second method:
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.. literalinclude:: _spack_root/var/spack/repos/builtin/packages/r/package.py
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:pyobject: R.setup_dependent_run_environment
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and would make any package that ``extends("python")`` have its library directory added to the
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``PYTHONPATH`` environment variable in the module file. It's much more convenient to set this
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variable here, than to repeat it in every Python extension's ``setup_run_environment`` method.
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.. _modules-yaml:
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^^^^^^^^^^^^^^^^^^^^^^^^^^
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Write a configuration file
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^^^^^^^^^^^^^^^^^^^^^^^^^^
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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The ``modules.yaml`` config file and module sets
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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The configuration files that control module generation behavior
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are named ``modules.yaml``. The default configuration:
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The configuration files that control module generation behavior are named ``modules.yaml``. The
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default configuration looks like this:
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.. literalinclude:: _spack_root/etc/spack/defaults/modules.yaml
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:language: yaml
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activates the hooks to generate ``tcl`` module files and inspects
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the installation folder of each package for the presence of a set of subdirectories
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(``bin``, ``man``, ``share/man``, etc.). If any is found its full path is prepended
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to the environment variables listed below the folder name.
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You can define one or more **module sets**, each of which can be configured separately with regard
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to install location, naming scheme, inclusion and exclusion, autoloading, et cetera.
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Spack modules can be configured for multiple module sets. The default
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module set is named ``default``. All Spack commands which operate on
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modules default to apply the ``default`` module set, but can be
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applied to any module set in the configuration.
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The default module set is aptly named ``default``. All
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:ref:`Spack commands that operate on modules <maintaining-module-files>` apply to the ``default``
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module set, unless another module set is specified explicitly (with the ``--name`` flag).
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"""""""""""""""""""""""""
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^^^^^^^^^^^^^^^^^^^^^^^^^
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Changing the modules root
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"""""""""""""""""""""""""
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^^^^^^^^^^^^^^^^^^^^^^^^^
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As shown in the table above, the default module root for ``lmod`` is
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``$spack/share/spack/lmod`` and the default root for ``tcl`` is
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@ -224,25 +215,32 @@ location could be confusing to users of your modules. In the next
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section, we will discuss enabling and disabling module types (module
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file generators) for each module set.
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""""""""""""""""""""
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Activate other hooks
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""""""""""""""""""""
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Automatically generating module files
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Any other module file generator shipped with Spack can be activated adding it to the
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list under the ``enable`` key in the module file. Currently the only generator that
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is not active by default is ``lmod``, which produces hierarchical lua module files.
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Each module system can then be configured separately. In fact, you should list configuration
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options that affect a particular type of module files under a top level key corresponding
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to the generator being customized:
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Spack can be configured to automatically generate module files as part of package installation.
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This is done by adding the desired module systems to the ``enable`` list.
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.. code-block:: yaml
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modules:
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default:
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enable:
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- tcl
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- lmod
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- tcl
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- lmod
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Configuring ``tcl`` and ``lmod`` modules
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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You can configure the behavior of either module system separately, under a key corresponding to
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the generator being customized:
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.. code-block:: yaml
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modules:
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default:
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tcl:
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# contains environment modules specific customizations
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lmod:
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@ -253,16 +251,70 @@ either change the layout of the module files on the filesystem, or they will aff
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their content. For the latter point it is possible to use anonymous specs
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to fine tune the set of packages on which the modifications should be applied.
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.. _autoloading-dependencies:
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Autoloading and hiding dependencies
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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A module file should set the variables that are needed for an application to work. But since an
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application often has many dependencies, where should all the environment variables for those be
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set? In Spack the rule is that each package sets the runtime variables that are needed by the
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package itself, and no more. This way, dependencies can be loaded standalone too, and duplication
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of environment variables is avoided.
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That means however that if you want to use an application, you need to load the modules for all its
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dependencies. Of course this is not something you would want users to do manually.
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Since Spack knows the dependency graph of every package, it can easily generate module files that
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automatically load the modules for its dependencies recursively. It is enabled by default for both
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Lmod and Environment Modules under the ``autoload: direct`` config option. The former system has
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builtin support through the ``depends_on`` function, the latter simply uses a ``module load``
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statement. Both module systems (at least in newer versions) do reference counting, so that if a
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module is loaded by two different modules, it will only be unloaded after the others are.
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The ``autoload`` key accepts the values ``none``, ``direct``, and ``all``. To disable it, use
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``none``, and to enable, it's best to stick to ``direct``, which only autoloads the direct link and
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run type dependencies, relying on recursive autoloading to load the rest.
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A common complaint about autoloading is the large number of modules that are visible to the user.
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Spack has a solution for this as well: ``hide_implicits: true``. This ensures that only those
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packages you've explicitly installed are exposed by ``module avail``, but still allows for
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autoloading of hidden dependencies. Lmod should support hiding implicits in general, while
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Environment Modules requires version 4.7 or higher.
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.. note::
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If supported by your module system, we highly encourage the following configuration that enables
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autoloading and hiding of implicits. It ensures all runtime variables are set correctly,
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including those for dependencies, without overwhelming the user with a large number of available
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modules. Further, it makes it easier to get readable module names without collisions, see the
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section below on :ref:`modules-projections`.
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.. code-block:: yaml
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modules:
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default:
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tcl:
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hide_implicits: true
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all:
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autoload: direct
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lmod:
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hide_implicits: true
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all:
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autoload: direct
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.. _anonymous_specs:
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""""""""""""""""""""""""""""
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Selection by anonymous specs
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""""""""""""""""""""""""""""
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Setting environment variables for selected packages in config
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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In the configuration file you can use *anonymous specs* (i.e. specs
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that **are not required to have a root package** and are thus used just
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to express constraints) to apply certain modifications on a selected set
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of the installed software. For instance, in the snippet below:
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In the configuration file you can filter particular specs, and make further changes to the
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environment variables that go into their module files. This is very powerful when you want to avoid
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:ref:`modifying the package itself <overide-api-calls-in-package-py>`, or when you want to set
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certain variables on multiple selected packages at once.
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For instance, in the snippet below:
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.. code-block:: yaml
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|
@ -305,12 +357,28 @@ the variable ``FOOBAR`` will be unset.
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.. note::
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Order does matter
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The modifications associated with the ``all`` keyword are always evaluated
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first, no matter where they appear in the configuration file. All the other
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spec constraints are instead evaluated top to bottom.
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first, no matter where they appear in the configuration file. All the other changes to
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environment variables for matching specs are evaluated from top to bottom.
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""""""""""""""""""""""""""""""""""""""""""""
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.. warning::
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As general advice, it's often better to set as few unnecessary variables as possible. For
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example, the following seemingly innocent and potentially useful configuration
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.. code-block:: yaml
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all:
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environment:
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set:
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"{name}_ROOT": "{prefix}"
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sets ``BINUTILS_ROOT`` to its prefix in modules for ``binutils``, which happens to break
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the ``gcc`` compiler: it uses this variable as its default search path for certain object
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files and libraries, and by merely setting it, everything fails to link.
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Exclude or include specific module files
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""""""""""""""""""""""""""""""""""""""""""""
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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You can use anonymous specs also to prevent module files from being written or
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to force them to be written. Consider the case where you want to hide from users
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|
@ -330,14 +398,19 @@ you will prevent the generation of module files for any package that
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is compiled with ``gcc@4.4.7``, with the only exception of any ``gcc``
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or any ``llvm`` installation.
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||||
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It is safe to combine ``exclude`` and ``autoload``
|
||||
:ref:`mentioned above <autoloading-dependencies>`. When ``exclude`` prevents a module file to be
|
||||
generated for a dependency, the ``autoload`` feature will simply not generate a statement to load
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it.
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|
||||
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.. _modules-projections:
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||||
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||||
"""""""""""""""""""""""""""""""
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Customize the naming of modules
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"""""""""""""""""""""""""""""""
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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The names of environment modules generated by spack are not always easy to
|
||||
The names of environment modules generated by Spack are not always easy to
|
||||
fully comprehend due to the long hash in the name. There are three module
|
||||
configuration options to help with that. The first is a global setting to
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||||
adjust the hash length. It can be set anywhere from 0 to 32 and has a default
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|
@ -353,6 +426,13 @@ shows how to set hash length in the module file names:
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tcl:
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hash_length: 7
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.. tip::
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Using ``hide_implicits: true`` (see :ref:`autoloading-dependencies`) vastly reduces the number
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||||
modules exposed to the user. The hidden modules always contain the hash in their name, and are
|
||||
not influenced by the ``hash_length`` setting. Hidden implicits thus make it easier to use a
|
||||
short hash length or no hash at all, without risking name conflicts.
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||||
|
||||
To help make module names more readable, and to help alleviate name conflicts
|
||||
with a short hash, one can use the ``suffixes`` option in the modules
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configuration file. This option will add strings to modules that match a spec.
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|
@ -365,12 +445,12 @@ For instance, the following config options,
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|||
tcl:
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all:
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suffixes:
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^python@2.7.12: 'python-2.7.12'
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^python@3.12: 'python-3.12'
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^openblas: 'openblas'
|
||||
|
||||
will add a ``python-2.7.12`` version string to any packages compiled with
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||||
python matching the spec, ``python@2.7.12``. This is useful to know which
|
||||
version of python a set of python extensions is associated with. Likewise, the
|
||||
will add a ``python-3.12`` version string to any packages compiled with
|
||||
Python matching the spec, ``python@3.12``. This is useful to know which
|
||||
version of Python a set of Python extensions is associated with. Likewise, the
|
||||
``openblas`` string is attached to any program that has openblas in the spec,
|
||||
most likely via the ``+blas`` variant specification.
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||||
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||||
|
@ -468,41 +548,11 @@ that are already in the Lmod hierarchy.
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|||
For hierarchies that are deeper than three layers ``lmod spider`` may have some issues.
|
||||
See `this discussion on the Lmod project <https://github.com/TACC/Lmod/issues/114>`_.
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||||
|
||||
""""""""""""""""""""""
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||||
Select default modules
|
||||
""""""""""""""""""""""
|
||||
|
||||
By default, when multiple modules of the same name share a directory,
|
||||
the highest version number will be the default module. This behavior
|
||||
of the ``module`` command can be overridden with a symlink named
|
||||
``default`` to the desired default module. If you wish to configure
|
||||
default modules with Spack, add a ``defaults`` key to your modules
|
||||
configuration:
|
||||
|
||||
.. code-block:: yaml
|
||||
|
||||
modules:
|
||||
my-module-set:
|
||||
tcl:
|
||||
defaults:
|
||||
- gcc@10.2.1
|
||||
- hdf5@1.2.10+mpi+hl%gcc
|
||||
|
||||
These defaults may be arbitrarily specific. For any package that
|
||||
satisfies a default, Spack will generate the module file in the
|
||||
appropriate path, and will generate a default symlink to the module
|
||||
file as well.
|
||||
|
||||
.. warning::
|
||||
If Spack is configured to generate multiple default packages in the
|
||||
same directory, the last modulefile to be generated will be the
|
||||
default module.
|
||||
|
||||
.. _customize-env-modifications:
|
||||
|
||||
"""""""""""""""""""""""""""""""""""
|
||||
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
||||
Customize environment modifications
|
||||
"""""""""""""""""""""""""""""""""""
|
||||
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
||||
|
||||
You can control which prefixes in a Spack package are added to
|
||||
environment variables with the ``prefix_inspections`` section; this
|
||||
|
@ -600,9 +650,9 @@ stack to users who are likely to inspect the modules to find full
|
|||
paths to software, when it is desirable to present the users with a
|
||||
simpler set of paths than those generated by the Spack install tree.
|
||||
|
||||
""""""""""""""""""""""""""""""""""""
|
||||
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
||||
Filter out environment modifications
|
||||
""""""""""""""""""""""""""""""""""""
|
||||
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
||||
|
||||
Modifications to certain environment variables in module files are there by
|
||||
default, for instance because they are generated by prefix inspections.
|
||||
|
@ -622,49 +672,37 @@ do so by using the ``exclude_env_vars``:
|
|||
The configuration above will generate module files that will not contain
|
||||
modifications to either ``CPATH`` or ``LIBRARY_PATH``.
|
||||
|
||||
^^^^^^^^^^^^^^^^^^^^^^
|
||||
Select default modules
|
||||
^^^^^^^^^^^^^^^^^^^^^^
|
||||
|
||||
.. _autoloading-dependencies:
|
||||
|
||||
"""""""""""""""""""""
|
||||
Autoload dependencies
|
||||
"""""""""""""""""""""
|
||||
|
||||
Often it is required for a module to have its (transient) dependencies loaded as well.
|
||||
One example where this is useful is when one package needs to use executables provided
|
||||
by its dependency; when the dependency is autoloaded, the executable will be in the
|
||||
PATH. Similarly for scripting languages such as Python, packages and their dependencies
|
||||
have to be loaded together.
|
||||
|
||||
Autoloading is enabled by default for Lmod and Environment Modules. The former
|
||||
has builtin support for through the ``depends_on`` function. The latter uses
|
||||
``module load`` statement to load and track dependencies.
|
||||
|
||||
Autoloading can also be enabled conditionally:
|
||||
By default, when multiple modules of the same name share a directory,
|
||||
the highest version number will be the default module. This behavior
|
||||
of the ``module`` command can be overridden with a symlink named
|
||||
``default`` to the desired default module. If you wish to configure
|
||||
default modules with Spack, add a ``defaults`` key to your modules
|
||||
configuration:
|
||||
|
||||
.. code-block:: yaml
|
||||
|
||||
modules:
|
||||
default:
|
||||
tcl:
|
||||
all:
|
||||
autoload: none
|
||||
^python:
|
||||
autoload: direct
|
||||
modules:
|
||||
my-module-set:
|
||||
tcl:
|
||||
defaults:
|
||||
- gcc@10.2.1
|
||||
- hdf5@1.2.10+mpi+hl%gcc
|
||||
|
||||
The configuration file above will produce module files that will
|
||||
load their direct dependencies if the package installed depends on ``python``.
|
||||
The allowed values for the ``autoload`` statement are either ``none``,
|
||||
``direct`` or ``all``.
|
||||
These defaults may be arbitrarily specific. For any package that
|
||||
satisfies a default, Spack will generate the module file in the
|
||||
appropriate path, and will generate a default symlink to the module
|
||||
file as well.
|
||||
|
||||
.. note::
|
||||
Tcl prerequisites
|
||||
In the ``tcl`` section of the configuration file it is possible to use
|
||||
the ``prerequisites`` directive that accepts the same values as
|
||||
``autoload``. It will produce module files that have a ``prereq``
|
||||
statement, which autoloads dependencies on Environment Modules when its
|
||||
``auto_handling`` configuration option is enabled. If Environment Modules
|
||||
is installed with Spack, ``auto_handling`` is enabled by default starting
|
||||
version 4.2. Otherwise it is enabled by default since version 5.0.
|
||||
.. warning::
|
||||
If Spack is configured to generate multiple default packages in the
|
||||
same directory, the last modulefile to be generated will be the
|
||||
default module.
|
||||
|
||||
.. _maintaining-module-files:
|
||||
|
||||
------------------------
|
||||
Maintaining Module Files
|
||||
|
|
Loading…
Reference in a new issue