
Currently, module configurations are inconsistent because modulefiles are generated with the configs for the active environment, but are shared among all environments (and spack outside any environment). This PR fixes that by allowing Spack environments (or other spack config scopes) to define additional sets of modules to generate. Each set of modules can enable either lmod or tcl modules, and contains all of the previously available module configuration. The user defines the name of each module set -- the set configured in Spack by default is named "default", and is the one returned by module manipulation commands in the absence of user intervention. As part of this change, the module roots configuration moved from the config section to inside each module configuration. Additionally, it adds a feature that the modulefiles for an environment can be configured to be relative to an environment view rather than the underlying prefix. This will not be enabled by default, as it should only be enabled within an environment and for non-default views constructed with separate projections per-spec.
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780 lines
31 KiB
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.. Copyright 2013-2021 Lawrence Livermore National Security, LLC and other
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Spack Project Developers. See the top-level COPYRIGHT file for details.
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SPDX-License-Identifier: (Apache-2.0 OR MIT)
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.. _modules:
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=======
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Modules
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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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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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<http://lmod.readthedocs.io/en/latest/>`_ by providing post-install hooks
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that generate module files and commands to manipulate them.
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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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If you have installed a supported module system you should be able to
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run either ``module avail`` or ``use -l spack`` 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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.. code-block:: console
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$ module avail
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--------------------------------------------------------------- ~/spack/share/spack/modules/linux-ubuntu14-x86_64 ---------------------------------------------------------------
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autoconf-2.69-gcc-4.8-qextxkq hwloc-1.11.6-gcc-6.3.0-akcisez m4-1.4.18-gcc-4.8-ev2znoc openblas-0.2.19-gcc-6.3.0-dhkmed6 py-setuptools-34.2.0-gcc-6.3.0-fadur4s
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automake-1.15-gcc-4.8-maqvukj isl-0.18-gcc-4.8-afi6taq m4-1.4.18-gcc-6.3.0-uppywnz openmpi-2.1.0-gcc-6.3.0-go2s4z5 py-six-1.10.0-gcc-6.3.0-p4dhkaw
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binutils-2.28-gcc-4.8-5s7c6rs libiconv-1.15-gcc-4.8-at46wg3 mawk-1.3.4-gcc-4.8-acjez57 openssl-1.0.2k-gcc-4.8-dkls5tk python-2.7.13-gcc-6.3.0-tyehea7
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bison-3.0.4-gcc-4.8-ek4luo5 libpciaccess-0.13.4-gcc-6.3.0-gmufnvh mawk-1.3.4-gcc-6.3.0-ostdoms openssl-1.0.2k-gcc-6.3.0-gxgr5or readline-7.0-gcc-4.8-xhufqhn
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bzip2-1.0.6-gcc-4.8-iffrxzn libsigsegv-2.11-gcc-4.8-pp2cvte mpc-1.0.3-gcc-4.8-g5mztc5 pcre-8.40-gcc-4.8-r5pbrxb readline-7.0-gcc-6.3.0-zzcyicg
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bzip2-1.0.6-gcc-6.3.0-bequudr libsigsegv-2.11-gcc-6.3.0-7enifnh mpfr-3.1.5-gcc-4.8-o7xm7az perl-5.24.1-gcc-4.8-dg5j65u sqlite-3.8.5-gcc-6.3.0-6zoruzj
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cmake-3.7.2-gcc-6.3.0-fowuuby libtool-2.4.6-gcc-4.8-7a523za mpich-3.2-gcc-6.3.0-dmvd3aw perl-5.24.1-gcc-6.3.0-6uzkpt6 tar-1.29-gcc-4.8-wse2ass
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curl-7.53.1-gcc-4.8-3fz46n6 libtool-2.4.6-gcc-6.3.0-n7zmbzt ncurses-6.0-gcc-4.8-dcpe7ia pkg-config-0.29.2-gcc-4.8-ib33t75 tcl-8.6.6-gcc-4.8-tfxzqbr
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expat-2.2.0-gcc-4.8-mrv6bd4 libxml2-2.9.4-gcc-4.8-ryzxnsu ncurses-6.0-gcc-6.3.0-ucbhcdy pkg-config-0.29.2-gcc-6.3.0-jpgubk3 util-macros-1.19.1-gcc-6.3.0-xorz2x2
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flex-2.6.3-gcc-4.8-yf345oo libxml2-2.9.4-gcc-6.3.0-rltzsdh netlib-lapack-3.6.1-gcc-6.3.0-js33dog py-appdirs-1.4.0-gcc-6.3.0-jxawmw7 xz-5.2.3-gcc-4.8-mew4log
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gcc-6.3.0-gcc-4.8-24puqve lmod-7.4.1-gcc-4.8-je4srhr netlib-scalapack-2.0.2-gcc-6.3.0-5aidk4l py-numpy-1.12.0-gcc-6.3.0-oemmoeu xz-5.2.3-gcc-6.3.0-3vqeuvb
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gettext-0.19.8.1-gcc-4.8-yymghlh lua-5.3.4-gcc-4.8-im75yaz netlib-scalapack-2.0.2-gcc-6.3.0-hjsemcn py-packaging-16.8-gcc-6.3.0-i2n3dtl zip-3.0-gcc-4.8-rwar22d
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gmp-6.1.2-gcc-4.8-5ub2wu5 lua-luafilesystem-1_6_3-gcc-4.8-wkey3nl netlib-scalapack-2.0.2-gcc-6.3.0-jva724b py-pyparsing-2.1.10-gcc-6.3.0-tbo6gmw zlib-1.2.11-gcc-4.8-pgxsxv7
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help2man-1.47.4-gcc-4.8-kcnqmau lua-luaposix-33.4.0-gcc-4.8-mdod2ry netlib-scalapack-2.0.2-gcc-6.3.0-rgqfr6d py-scipy-0.19.0-gcc-6.3.0-kr7nat4 zlib-1.2.11-gcc-6.3.0-7cqp6cj
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The names should look familiar, as they resemble the output from ``spack find``.
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You *can* use the modules here directly. For example, you could type either of these commands
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to load the ``cmake`` module:
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.. code-block:: console
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$ use cmake-3.7.2-gcc-6.3.0-fowuuby
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.. code-block:: console
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$ module load cmake-3.7.2-gcc-6.3.0-fowuuby
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Neither of these is particularly pretty, easy to remember, or easy to
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type. Luckily, Spack offers many facilities for customizing the module
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scheme used at your site.
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-------------------------
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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 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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Spack ships with sensible defaults for the generation of module files, but
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you can customize many aspects of it to accommodate package or site specific needs.
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In general you can override or extend the default behavior by:
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1. overriding certain callback APIs in the Python packages
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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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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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site specific conventions.
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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Override API calls 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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.. code-block:: python
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def setup_run_environment(self, env):
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pass
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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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.. 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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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 ``run_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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.. _modules-yaml:
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^^^^^^^^^^^^^^^^^^^^^^^^^^
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Write a configuration file
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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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.. 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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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. Settings applied at
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the root of the configuration (e.g. ``modules:enable`` rather than
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``modules:default:enable``) are applied to the default module set for
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backwards compatibility.
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"""""""""""""""""""""""""
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Changing the modules root
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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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``$spack/share/spack/lmod`` and the default root for ``tcl`` is
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``$spack/share/spack/modules``. This can be overridden for any module
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set by changing the ``roots`` key of the configuration.
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.. code-block:: yaml
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modules:
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default:
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roots:
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tcl: /path/to/install/tcl/modules
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my_custom_lmod_modules:
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roots:
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lmod: /path/to/install/custom/lmod/modules
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...
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This configuration will create two module sets. The default module set
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will install its ``tcl`` modules to ``/path/to/install/tcl/modules``
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(and still install its lmod modules, if any, to the default
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location). The set ``my_custom_lmod_modules`` will install its lmod
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modules to ``/path/to/install/custom/lmod/modules`` (and still install
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its tcl modules, if any, to the default location).
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Obviously, having multiple module sets install modules to the default
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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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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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.. 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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# contains environment modules specific customizations
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lmod:
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# contains lmod specific customizations
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In general, the configuration options that you can use in ``modules.yaml`` will
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either change the layout of the module files on the filesystem, or they will affect
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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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.. _anonymous_specs:
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""""""""""""""""""""""""""""
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Selection by anonymous specs
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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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.. code-block:: yaml
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modules:
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tcl:
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# The keyword `all` selects every package
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all:
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environment:
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set:
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BAR: 'bar'
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# This anonymous spec selects any package that
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# depends on openmpi. The double colon at the
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# end clears the set of rules that matched so far.
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^openmpi::
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environment:
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set:
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BAR: 'baz'
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# Selects any zlib package
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zlib:
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environment:
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prepend_path:
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LD_LIBRARY_PATH: 'foo'
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# Selects zlib compiled with gcc@4.8
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zlib%gcc@4.8:
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environment:
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unset:
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- FOOBAR
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you are instructing Spack to set the environment variable ``BAR=bar`` for every module,
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unless the associated spec satisfies ``^openmpi`` in which case ``BAR=baz``.
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In addition in any spec that satisfies ``zlib`` the value ``foo`` will be
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prepended to ``LD_LIBRARY_PATH`` and in any spec that satisfies ``zlib%gcc@4.8``
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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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""""""""""""""""""""""""""""""""""""""""""""
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Blacklist or whitelist specific module files
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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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all the boilerplate software that you had to build in order to bootstrap a new
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compiler. Suppose for instance that ``gcc@4.4.7`` is the compiler provided by
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your system. If you write a configuration file like:
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.. code-block:: yaml
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modules:
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tcl:
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whitelist: ['gcc', 'llvm'] # Whitelist will have precedence over blacklist
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blacklist: ['%gcc@4.4.7'] # Assuming gcc@4.4.7 is the system compiler
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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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.. _modules-projections:
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"""""""""""""""""""""""""""""""
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Customize the naming of modules
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"""""""""""""""""""""""""""""""
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The names of environment modules generated by spack are not always easy to
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fully comprehend due to the long hash in the name. There are three module
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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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length of 7. This is the representation of the hash in the module file name and
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does not affect the size of the package hash. Be aware that the smaller the
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hash length the more likely naming conflicts will occur. The following snippet
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shows how to set hash length in the module file names:
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.. code-block:: yaml
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modules:
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tcl:
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hash_length: 7
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To help make module names more readable, and to help alleviate name conflicts
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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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For instance, the following config options,
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.. code-block:: yaml
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modules:
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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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^openblas: 'openblas'
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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
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version of python a set of python extensions is associated with. Likewise, the
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``openblas`` string is attached to any program that has openblas in the spec,
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most likely via the ``+blas`` variant specification.
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The most heavyweight solution to module naming is to change the entire
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naming convention for module files. This uses the projections format
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covered in :ref:`adding_projections_to_views`.
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.. code-block:: yaml
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modules:
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tcl:
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projections:
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all: '{name}/{version}-{compiler.name}-{compiler.version}-module'
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^mpi: '{name}/{version}-{^mpi.name}-{^mpi.version}-{compiler.name}-{compiler.version}-module'
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will create module files that are nested in directories by package
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name, contain the version and compiler name and version, and have the
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word ``module`` before the hash for all specs that do not depend on
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mpi, and will have the same information plus the MPI implementation
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name and version for all packages that depend on mpi.
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When specifying module names by projection for Lmod modules, we
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recommend NOT including names of dependencies (e.g., MPI, compilers)
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that are already in the LMod hierarchy.
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.. note::
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TCL modules
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TCL modules also allow for explicit conflicts between modulefiles.
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.. code-block:: yaml
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modules:
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enable:
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- tcl
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tcl:
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projections:
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all: '{name}/{version}-{compiler.name}-{compiler.version}'
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all:
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conflict:
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- '{name}'
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- 'intel/14.0.1'
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will create module files that will conflict with ``intel/14.0.1`` and with the
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base directory of the same module, effectively preventing the possibility to
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load two or more versions of the same software at the same time. The tokens
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that are available for use in this directive are the same understood by
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the :meth:`~spack.spec.Spec.format` method.
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.. note::
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LMod hierarchical module files
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When ``lmod`` is activated Spack will generate a set of hierarchical lua module
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files that are understood by LMod. The hierarchy will always contain the
|
|
two layers ``Core`` / ``Compiler`` but can be further extended to
|
|
any of the virtual dependencies present in Spack. A case that could be useful in
|
|
practice is for instance:
|
|
|
|
.. code-block:: yaml
|
|
|
|
modules:
|
|
enable:
|
|
- lmod
|
|
lmod:
|
|
core_compilers:
|
|
- 'gcc@4.8'
|
|
core_specs:
|
|
- 'python'
|
|
hierarchy:
|
|
- 'mpi'
|
|
- 'lapack'
|
|
|
|
that will generate a hierarchy in which the ``lapack`` and ``mpi`` layer can be switched
|
|
independently. This allows a site to build the same libraries or applications against different
|
|
implementations of ``mpi`` and ``lapack``, and let LMod switch safely from one to the
|
|
other.
|
|
|
|
All packages built with a compiler in ``core_compilers`` and all
|
|
packages that satisfy a spec in ``core_specs`` will be put in the
|
|
``Core`` hierarchy of the lua modules.
|
|
|
|
.. warning::
|
|
Consistency of Core packages
|
|
The user is responsible for maintining consistency among core packages, as ``core_specs``
|
|
bypasses the hierarchy that allows LMod to safely switch between coherent software stacks.
|
|
|
|
.. warning::
|
|
Deep hierarchies and ``lmod spider``
|
|
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>`_.
|
|
|
|
.. _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
|
|
section maps relative prefixes to the list of environment variables
|
|
which should be updated with those prefixes.
|
|
|
|
The ``prefix_inspections`` configuration is different from other
|
|
settings in that a ``prefix_inspections`` configuration at the
|
|
``modules`` level of the configuration file applies to all module
|
|
sets. This allows users to make general overrides to the default
|
|
inspections and customize them per-module-set.
|
|
|
|
.. code-block:: yaml
|
|
|
|
modules:
|
|
prefix_inspections:
|
|
bin:
|
|
- PATH
|
|
lib:
|
|
- LIBRARY_PATH
|
|
'':
|
|
- CMAKE_PREFIX_PATH
|
|
|
|
Prefix inspections are only applied if the relative path inside the
|
|
installation prefix exists. In this case, for a Spack package ``foo``
|
|
installed to ``/spack/prefix/foo``, if ``foo`` installs executables to
|
|
``bin`` but no libraries in ``lib``, the generated module file for
|
|
``foo`` would update ``PATH`` to contain ``/spack/prefix/foo/bin`` and
|
|
``CMAKE_PREFIX_PATH`` to contain ``/spack/prefix/foo``, but would not
|
|
update ``LIBRARY_PATH``.
|
|
|
|
There is a special case for prefix inspections relative to environment
|
|
views. If all of the following conditions hold for a module set
|
|
configuration:
|
|
|
|
#. The configuration is for an :ref:`environment <environments>` and
|
|
will never be applied outside the environment,
|
|
#. The environment in question is configured to use a :ref:`view
|
|
<filesystem-views>`,
|
|
#. The :ref:`environment view is configured
|
|
<configuring_environment_views>` with a projection that ensures
|
|
every package is linked to a unique directory,
|
|
|
|
then the module set may be configured to create modules relative to
|
|
the environment view. This is specified by the ``use_view``
|
|
configuration option in the module set. If ``True``, the module set is
|
|
constructed relative to the default view of the
|
|
environment. Otherwise, the value must be the name of the environment
|
|
view relative to which to construct modules, or ``False-ish`` to
|
|
disable the feature explicitly (the default is ``False``).
|
|
|
|
If the ``use_view`` value is set in the config, then the prefix
|
|
inspections for the package are done relative to the package's path in
|
|
the view.
|
|
|
|
.. code-block:: yaml
|
|
|
|
spack:
|
|
modules:
|
|
view_relative_modules:
|
|
use_view: my_view
|
|
prefix_inspections:
|
|
bin:
|
|
- PATH
|
|
view:
|
|
my_view:
|
|
projections:
|
|
root: /path/to/my/view
|
|
all: '{name}-{hash}'
|
|
|
|
The ``spack`` key is relevant to :ref:`environment <environments>`
|
|
configuration, and the view key is discussed in detail in the section
|
|
on :ref:`Configuring environment views
|
|
<configuring_environment_views>`. With this configuration the
|
|
generated module for package ``foo`` would set ``PATH`` to include
|
|
``/path/to/my/view/foo-<hash>/bin`` instead of
|
|
``/spack/prefix/foo/bin``.
|
|
|
|
The ``use_view`` option is useful when deploying a large software
|
|
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.
|
|
If you want to prevent modifications to some environment variables, you can
|
|
do so by using the environment blacklist:
|
|
|
|
.. code-block:: yaml
|
|
|
|
modules:
|
|
tcl:
|
|
all:
|
|
filter:
|
|
# Exclude changes to any of these variables
|
|
environment_blacklist: ['CPATH', 'LIBRARY_PATH']
|
|
|
|
The configuration above will generate module files that will not contain
|
|
modifications to either ``CPATH`` or ``LIBRARY_PATH``.
|
|
|
|
|
|
.. _autoloading-dependencies:
|
|
|
|
"""""""""""""""""""""
|
|
Autoload dependencies
|
|
"""""""""""""""""""""
|
|
|
|
In some cases it can be useful to have module files that automatically load
|
|
their dependencies. This may be the case for Python extensions, if not
|
|
activated using ``spack activate``:
|
|
|
|
.. code-block:: yaml
|
|
|
|
modules:
|
|
tcl:
|
|
^python:
|
|
autoload: 'direct'
|
|
|
|
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``. The default is ``none``.
|
|
|
|
.. tip::
|
|
Building external software
|
|
Setting ``autoload`` to ``direct`` for all packages can be useful
|
|
when building software outside of a Spack installation that depends on
|
|
artifacts in that installation. E.g. (adjust ``lmod`` vs ``tcl``
|
|
as appropriate):
|
|
|
|
.. code-block:: yaml
|
|
|
|
modules:
|
|
lmod:
|
|
all:
|
|
autoload: 'direct'
|
|
|
|
.. 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 instead of automatically loading other modules.
|
|
|
|
------------------------
|
|
Maintaining Module Files
|
|
------------------------
|
|
|
|
Each type of module file has a command with the same name associated
|
|
with it. The actions these commands permit are usually associated
|
|
with the maintenance of a production environment. Here's, for instance,
|
|
a sample of the features of the ``spack module tcl`` command:
|
|
|
|
.. command-output:: spack module tcl --help
|
|
|
|
.. _cmd-spack-module-refresh:
|
|
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
Refresh the set of modules
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
|
|
The subcommand that regenerates module files to update their content or
|
|
their layout is ``refresh``:
|
|
|
|
.. command-output:: spack module tcl refresh --help
|
|
|
|
A set of packages can be selected using anonymous specs for the optional
|
|
``constraint`` positional argument. Optionally the entire tree can be deleted
|
|
before regeneration if the change in layout is radical.
|
|
|
|
.. _cmd-spack-module-rm:
|
|
|
|
^^^^^^^^^^^^^^^^^^^
|
|
Delete module files
|
|
^^^^^^^^^^^^^^^^^^^
|
|
|
|
If instead what you need is just to delete a few module files, then the right
|
|
subcommand is ``rm``:
|
|
|
|
.. command-output:: spack module tcl rm --help
|
|
|
|
.. note::
|
|
We care about your module files!
|
|
Every modification done on modules
|
|
that are already existing will ask for a confirmation by default. If
|
|
the command is used in a script it is possible though to pass the
|
|
``-y`` argument, that will skip this safety measure.
|
|
|
|
|
|
.. _modules-in-shell-scripts:
|
|
|
|
------------------------------------
|
|
Using Spack modules in shell scripts
|
|
------------------------------------
|
|
|
|
The easiest To enable additional Spack commands for loading and unloading
|
|
module files, and to add the correct path to ``MODULEPATH``, you need to
|
|
source the appropriate setup file. Assuming Spack is installed in
|
|
``$SPACK_ROOT``, run the appropriate command for your shell:
|
|
|
|
.. code-block:: console
|
|
|
|
# For bash/zsh/sh
|
|
$ . $SPACK_ROOT/share/spack/setup-env.sh
|
|
|
|
# For tcsh/csh
|
|
$ source $SPACK_ROOT/share/spack/setup-env.csh
|
|
|
|
# For fish
|
|
$ . $SPACK_ROOT/share/spack/setup-env.fish
|
|
|
|
If you want to have Spack's shell support available on the command line
|
|
at any login you can put this source line in one of the files that are
|
|
sourced at startup (like ``.profile``, ``.bashrc`` or ``.cshrc``). Be
|
|
aware that the shell startup time may increase slightly as a result.
|
|
|
|
.. _cmd-spack-module-loads:
|
|
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
``spack module tcl loads``
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
|
|
In some cases, it is desirable to use a Spack-generated module, rather
|
|
than relying on Spack's built-in user-environment modification
|
|
capabilities. To translate a spec into a module name, use ``spack
|
|
module tcl loads`` or ``spack module lmod loads`` depending on the
|
|
module system desired.
|
|
|
|
|
|
To load not just a module, but also all the modules it depends on, use
|
|
the ``--dependencies`` option. This is not required for most modules
|
|
because Spack builds binaries with RPATH support. However, not all
|
|
packages use RPATH to find their dependencies: this can be true in
|
|
particular for Python extensions, which are currently *not* built with
|
|
RPATH.
|
|
|
|
Scripts to load modules recursively may be made with the command:
|
|
|
|
.. code-block:: console
|
|
|
|
$ spack module tcl loads --dependencies <spec>
|
|
|
|
An equivalent alternative using `process substitution <http://tldp.org/LDP/abs/html/process-sub.html>`_ is:
|
|
|
|
.. code-block:: console
|
|
|
|
$ source <( spack module tcl loads --dependencies <spec> )
|
|
|
|
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
Module Commands for Shell Scripts
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
|
|
Although Spack is flexible, the ``module`` command is much faster.
|
|
This could become an issue when emitting a series of ``spack load``
|
|
commands inside a shell script. By adding the ``--dependencies`` flag,
|
|
``spack module tcl loads`` may also be used to generate code that can be
|
|
cut-and-pasted into a shell script. For example:
|
|
|
|
.. code-block:: console
|
|
|
|
$ spack module tcl loads --dependencies py-numpy git
|
|
# bzip2@1.0.6%gcc@4.9.3=linux-x86_64
|
|
module load bzip2-1.0.6-gcc-4.9.3-ktnrhkrmbbtlvnagfatrarzjojmkvzsx
|
|
# ncurses@6.0%gcc@4.9.3=linux-x86_64
|
|
module load ncurses-6.0-gcc-4.9.3-kaazyneh3bjkfnalunchyqtygoe2mncv
|
|
# zlib@1.2.8%gcc@4.9.3=linux-x86_64
|
|
module load zlib-1.2.8-gcc-4.9.3-v3ufwaahjnviyvgjcelo36nywx2ufj7z
|
|
# sqlite@3.8.5%gcc@4.9.3=linux-x86_64
|
|
module load sqlite-3.8.5-gcc-4.9.3-a3eediswgd5f3rmto7g3szoew5nhehbr
|
|
# readline@6.3%gcc@4.9.3=linux-x86_64
|
|
module load readline-6.3-gcc-4.9.3-se6r3lsycrwxyhreg4lqirp6xixxejh3
|
|
# python@3.5.1%gcc@4.9.3=linux-x86_64
|
|
module load python-3.5.1-gcc-4.9.3-5q5rsrtjld4u6jiicuvtnx52m7tfhegi
|
|
# py-setuptools@20.5%gcc@4.9.3=linux-x86_64
|
|
module load py-setuptools-20.5-gcc-4.9.3-4qr2suj6p6glepnedmwhl4f62x64wxw2
|
|
# py-nose@1.3.7%gcc@4.9.3=linux-x86_64
|
|
module load py-nose-1.3.7-gcc-4.9.3-pwhtjw2dvdvfzjwuuztkzr7b4l6zepli
|
|
# openblas@0.2.17%gcc@4.9.3+shared=linux-x86_64
|
|
module load openblas-0.2.17-gcc-4.9.3-pw6rmlom7apfsnjtzfttyayzc7nx5e7y
|
|
# py-numpy@1.11.0%gcc@4.9.3+blas+lapack=linux-x86_64
|
|
module load py-numpy-1.11.0-gcc-4.9.3-mulodttw5pcyjufva4htsktwty4qd52r
|
|
# curl@7.47.1%gcc@4.9.3=linux-x86_64
|
|
module load curl-7.47.1-gcc-4.9.3-ohz3fwsepm3b462p5lnaquv7op7naqbi
|
|
# autoconf@2.69%gcc@4.9.3=linux-x86_64
|
|
module load autoconf-2.69-gcc-4.9.3-bkibjqhgqm5e3o423ogfv2y3o6h2uoq4
|
|
# cmake@3.5.0%gcc@4.9.3~doc+ncurses+openssl~qt=linux-x86_64
|
|
module load cmake-3.5.0-gcc-4.9.3-x7xnsklmgwla3ubfgzppamtbqk5rwn7t
|
|
# expat@2.1.0%gcc@4.9.3=linux-x86_64
|
|
module load expat-2.1.0-gcc-4.9.3-6pkz2ucnk2e62imwakejjvbv6egncppd
|
|
# git@2.8.0-rc2%gcc@4.9.3+curl+expat=linux-x86_64
|
|
module load git-2.8.0-rc2-gcc-4.9.3-3bib4hqtnv5xjjoq5ugt3inblt4xrgkd
|
|
|
|
The script may be further edited by removing unnecessary modules.
|
|
|
|
|
|
^^^^^^^^^^^^^^^
|
|
Module Prefixes
|
|
^^^^^^^^^^^^^^^
|
|
|
|
On some systems, modules are automatically prefixed with a certain
|
|
string; ``spack module tcl loads`` needs to know about that prefix when it
|
|
issues ``module load`` commands. Add the ``--prefix`` option to your
|
|
``spack module tcl loads`` commands if this is necessary.
|
|
|
|
For example, consider the following on one system:
|
|
|
|
.. code-block:: console
|
|
|
|
$ module avail
|
|
linux-SuSE11-x86_64/antlr-2.7.7-gcc-5.3.0-bdpl46y
|
|
|
|
$ spack module tcl loads antlr # WRONG!
|
|
# antlr@2.7.7%gcc@5.3.0~csharp+cxx~java~python arch=linux-SuSE11-x86_64
|
|
module load antlr-2.7.7-gcc-5.3.0-bdpl46y
|
|
|
|
$ spack module tcl loads --prefix linux-SuSE11-x86_64/ antlr
|
|
# antlr@2.7.7%gcc@5.3.0~csharp+cxx~java~python arch=linux-SuSE11-x86_64
|
|
module load linux-SuSE11-x86_64/antlr-2.7.7-gcc-5.3.0-bdpl46y
|