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documented Spack installation in install docs
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Bryan Herman
parent
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commit
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1 changed files with 300 additions and 0 deletions
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@ -74,6 +74,306 @@ are no longer supported.
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.. _Personal Package Archive: https://launchpad.net/~paulromano/+archive/staging
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.. _APT package manager: https://help.ubuntu.com/community/AptGet/Howto
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----------------------------------
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Installing from Source using Spack
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----------------------------------
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`Spack`_ is a package management tool designed to support multiple versions and
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configurations of software on a wide variety of platforms and environments.
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Please following Spack's `setup guide`_ to configure the Spack system.
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The OpenMC Spack recipe has been configured with variants that match most options
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provided in the CMakeLists.txt file. To see a list of these variants and other
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information:
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.. code-block:: sh
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spack info openmc
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CMakePackage: openmc
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Description:
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The OpenMC project aims to provide a fully-featured Monte Carlo particle
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transport code based on modern methods. It is a constructive solid
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geometry, continuous-energy transport code that uses ACE format cross
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sections. The project started under the Computational Reactor Physics
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Group at MIT.
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Homepage: http://openmc.readthedocs.io/
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Tags:
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None
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Preferred version:
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0.12.0 [git] https://github.com/openmc-dev/openmc.git at tag v0.12.0
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Safe versions:
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develop [git] https://github.com/openmc-dev/openmc.git on branch develop
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master [git] https://github.com/openmc-dev/openmc.git on branch master
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0.12.0 [git] https://github.com/openmc-dev/openmc.git at tag v0.12.0
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0.11.0 https://github.com/openmc-dev/openmc/tarball/v0.11.0
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0.10.0 https://github.com/openmc-dev/openmc/tarball/v0.10.0
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Variants:
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Name [Default] Allowed values Description
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=========================== ==================== ==================================
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build_type [RelWithDebInfo] Debug, Release, CMake build type
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RelWithDebInfo,
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MinSizeRel
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debug [off] on, off Enable debug flags
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ipo [off] on, off CMake interprocedural optimization
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mpi [off] on, off Enable MPI support
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openmp [on] on, off Enable OpenMP support
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optimize [off] on, off Enable optimization flags
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Installation Phases:
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cmake build install
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Build Dependencies:
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cmake git hdf5 mpi
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Link Dependencies:
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hdf5 mpi
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Run Dependencies:
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None
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Virtual Packages:
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None
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.. note::
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It should be noted that by default OpenMC builds with ``-O2 -g`` flags which
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are equivalent to a CMake build type of `RelwithDebInfo`. In addition, MPI
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is OFF while OpenMP is ON.
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Assuming one had configured Spack with a GNU 9.3.0 compiler, to build OpenMC
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with optimization, OpenMP support and OpenMPI, use:
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.. code-block:: sh
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spack install openmc+mpi+optimize+openmp ^openmpi %gcc@9.3.0
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Although the OpenMP variant is by default ON, one can explicitly write it in
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the Spack specification. If a user wanted OpenMC without any MPI or OpenMP support,
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the variants can be deactivated:
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.. code-block:: sh
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spack install openmc~mpi+optimize~openmp
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The Python API for OpenMC can be installed in a similar fashion. Looking at the
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information page presented with Spack:
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.. code-block:: sh
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spack info py-openmc
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PythonPackage: py-openmc
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Description:
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The OpenMC project aims to provide a fully-featured Monte Carlo particle
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transport code based on modern methods. It is a constructive solid
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geometry, continuous-energy transport code that uses ACE format cross
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sections. The project started under the Computational Reactor Physics
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Group at MIT.
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Homepage: http://openmc.readthedocs.io/
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Tags:
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None
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Preferred version:
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0.12.0 [git] https://github.com/openmc-dev/openmc.git at tag v0.12.0
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Safe versions:
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develop [git] https://github.com/openmc-dev/openmc.git on branch develop
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master [git] https://github.com/openmc-dev/openmc.git on branch master
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0.12.0 [git] https://github.com/openmc-dev/openmc.git at tag v0.12.0
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0.11.0 https://github.com/openmc-dev/openmc/tarball/v0.11.0
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Variants:
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Name [Default] Allowed values Description
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============== ============== ==================
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mpi [off] on, off Enable MPI support
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Installation Phases:
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build install
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Build Dependencies:
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git openmc py-cython py-h5py py-ipython py-lxml py-matplotlib py-mpi4py py-numpy py-pandas py-scipy py-setuptools py-uncertainties python
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Link Dependencies:
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python
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Run Dependencies:
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openmc py-h5py py-ipython py-lxml py-matplotlib py-mpi4py py-numpy py-pandas py-scipy py-uncertainties python
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Virtual Packages:
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None
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The only variant for the Python API is MPI. To configure a serial version of the Python API against a serial version of OpenMC:
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.. code-block::
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spack install py-openmc
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.. caution::
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When installing any Spack package, dependencies are assumed to be at configured defaults unless otherwise specfied in the
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specification on the command line. In the above example, assuming the default options weren't changed in Spack's package
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configuration, py-openmc will want to link against a non-optimized openmc. Even if you have a built an optimized openmc,
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it will rebuild openmc with optimization OFF. Thus, if you are trying to link against dependencies that were configured
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different than defaults, ^openmc[variants] will have to be present on command line.
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To build a parallel version of py-openmc that links against a parallel version of openmc that was used in the previous example:
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.. code-block::
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spack install py-openmc+mpi ^openmc+optimize ^openmpi
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.. note::
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If py-openmc is given the +mpi variant, it is automatically passed to openmc, no need to specify explicitly.
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.. tip::
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When installing py-openmc it will use Spack's preferred Python. For example, assuming Spack's preferred Python
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is 3.8.7, to build py-openmc against the latest Python 3.7 instead, ``^python@3.7.0:3.7.99`` should be added to the
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specification on the command line.
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A useful tool in Spack is to look at the dependency tree before installation. This can be observed using
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Spack's `spec` tool:
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.. code-block::
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spack spec py-openmc+mpi ^openmc+optimize %gcc@9.3.0
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Input spec
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--------------------------------
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py-openmc+mpi
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^openmc%gcc@9.3.0+optimize
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Concretized
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--------------------------------
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py-openmc@0.12.0%gcc@9.3.0+mpi arch=linux-centos7-x86_64
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^git@2.29.0%gcc@9.3.0+svn~tcltk arch=linux-centos7-x86_64
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^autoconf@2.69%gcc@9.3.0 arch=linux-centos7-x86_64
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^m4@1.4.18%gcc@9.3.0+sigsegv patches=3877ab548f88597ab2327a2230ee048d2d07ace1062efe81fc92e91b7f39cd00,fc9b61654a3ba1a8d6cd78ce087e7c96366c290bc8d2c299f09828d793b853c8 arch=linux-centos7-x86_64
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^libsigsegv@2.12%gcc@9.3.0 arch=linux-centos7-x86_64
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^perl@5.32.0%gcc@9.3.0+cpanm+shared+threads arch=linux-centos7-x86_64
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^berkeley-db@18.1.40%gcc@9.3.0 arch=linux-centos7-x86_64
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^gdbm@1.18.1%gcc@9.3.0 arch=linux-centos7-x86_64
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^readline@8.0%gcc@9.3.0 arch=linux-centos7-x86_64
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^ncurses@6.2%gcc@9.3.0~symlinks+termlib arch=linux-centos7-x86_64
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^pkgconf@1.7.3%gcc@9.3.0 arch=linux-centos7-x86_64
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^automake@1.16.2%gcc@9.3.0 arch=linux-centos7-x86_64
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^curl@7.72.0%gcc@9.3.0~darwinssl~gssapi~libssh~libssh2~nghttp2 arch=linux-centos7-x86_64
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^libidn2@2.3.0%gcc@9.3.0 arch=linux-centos7-x86_64
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^libunistring@0.9.10%gcc@9.3.0 arch=linux-centos7-x86_64
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^libiconv@1.16%gcc@9.3.0 arch=linux-centos7-x86_64
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^openssl@1.1.1h%gcc@9.3.0+systemcerts arch=linux-centos7-x86_64
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^zlib@1.2.11%gcc@9.3.0+optimize+pic+shared arch=linux-centos7-x86_64
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^expat@2.2.10%gcc@9.3.0+libbsd arch=linux-centos7-x86_64
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^libbsd@0.10.0%gcc@9.3.0 arch=linux-centos7-x86_64
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^gettext@0.21%gcc@9.3.0+bzip2+curses+git~libunistring+libxml2+tar+xz arch=linux-centos7-x86_64
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^bzip2@1.0.8%gcc@9.3.0+shared arch=linux-centos7-x86_64
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^diffutils@3.7%gcc@9.3.0 arch=linux-centos7-x86_64
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^libxml2@2.9.10%gcc@9.3.0~python arch=linux-centos7-x86_64
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^xz@5.2.5%gcc@9.3.0~pic arch=linux-centos7-x86_64
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^tar@1.32%gcc@9.3.0 arch=linux-centos7-x86_64
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^libtool@2.4.6%gcc@9.3.0 arch=linux-centos7-x86_64
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^openssh@8.4p1%gcc@9.3.0 arch=linux-centos7-x86_64
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^libedit@3.1-20191231%gcc@9.3.0 arch=linux-centos7-x86_64
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^pcre2@10.35%gcc@9.3.0~jit+multibyte arch=linux-centos7-x86_64
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^perl-alien-svn@1.8.11.0%gcc@9.3.0 arch=linux-centos7-x86_64
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^apr@1.6.2%gcc@9.3.0 arch=linux-centos7-x86_64
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^apr-util@1.6.1%gcc@9.3.0+crypto~gdbm~odbc~pgsql~sqlite arch=linux-centos7-x86_64
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^perl-module-build@0.4224%gcc@9.3.0 arch=linux-centos7-x86_64
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^sqlite@3.33.0%gcc@9.3.0+column_metadata+fts~functions~rtree arch=linux-centos7-x86_64
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^openmc@0.12.0%gcc@9.3.0~debug~ipo+mpi+openmp+optimize build_type=Release arch=linux-centos7-x86_64
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^cmake@3.18.4%gcc@9.3.0~doc+ncurses+openssl+ownlibs~qt patches=bf695e3febb222da2ed94b3beea600650e4318975da90e4a71d6f31a6d5d8c3d arch=linux-centos7-x86_64
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^hdf5@1.10.7%gcc@9.3.0+cxx~debug+fortran+hl+java+mpi+pic+shared+szip+threadsafe api=none arch=linux-centos7-x86_64
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^libszip@2.1.1%gcc@9.3.0 arch=linux-centos7-x86_64
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^numactl@2.0.14%gcc@9.3.0 patches=4e1d78cbbb85de625bad28705e748856033eaafab92a66dffd383a3d7e00cc94 arch=linux-centos7-x86_64
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^openjdk@11.0.2%gcc@9.3.0 arch=linux-centos7-x86_64
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^openmpi@3.1.6%gcc@9.3.0~atomics~cuda~cxx~cxx_exceptions+gpfs~java~legacylaunchers~lustre~memchecker~pmi~singularity~sqlite3+static+thread_multiple+vt+wrapper-rpath fabrics=ofi,verbs schedulers=none arch=linux-centos7-x86_64
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^hwloc@1.11.11%gcc@9.3.0~cairo~cuda~gl~libudev+libxml2~netloc~nvml+pci+shared arch=linux-centos7-x86_64
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^libpciaccess@0.16%gcc@9.3.0 arch=linux-centos7-x86_64
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^util-macros@1.19.1%gcc@9.3.0 arch=linux-centos7-x86_64
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^libfabric@1.11.0%gcc@9.3.0~kdreg fabrics=shm,tcp,udp,verbs arch=linux-centos7-x86_64
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^rdma-core@20%gcc@9.3.0~ipo build_type=Release arch=linux-centos7-x86_64
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^libnl@3.3.0%gcc@9.3.0 arch=linux-centos7-x86_64
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^bison@3.6.4%gcc@9.3.0 arch=linux-centos7-x86_64
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^help2man@1.47.11%gcc@9.3.0 arch=linux-centos7-x86_64
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^flex@2.6.4%gcc@9.3.0+lex patches=09c22e5c6fef327d3e48eb23f0d610dcd3a35ab9207f12e0f875701c677978d3 arch=linux-centos7-x86_64
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^findutils@4.6.0%gcc@9.3.0 patches=84b916c0bf8c51b7e7b28417692f0ad3e7030d1f3c248ba77c42ede5c1c5d11e,bd9e4e5cc280f9753ae14956c4e4aa17fe7a210f55dd6c84aa60b12d106d47a2 arch=linux-centos7-x86_64
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^texinfo@6.5%gcc@9.3.0 patches=12f6edb0c6b270b8c8dba2ce17998c580db01182d871ee32b7b6e4129bd1d23a,1732115f651cff98989cb0215d8f64da5e0f7911ebf0c13b064920f088f2ffe1 arch=linux-centos7-x86_64
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^py-docutils@0.15.2%gcc@9.3.0 arch=linux-centos7-x86_64
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^py-setuptools@50.3.2%gcc@9.3.0 arch=linux-centos7-x86_64
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^python@3.8.7%gcc@9.3.0+bz2+ctypes+dbm~debug+libxml2+lzma~nis~optimizations+pic+pyexpat+pythoncmd+readline+shared+sqlite3+ssl~tix~tkinter~ucs4+uuid+zlib patches=0d98e93189bc278fbc37a50ed7f183bd8aaf249a8e1670a465f0db6bb4f8cf87 arch=linux-centos7-x86_64
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^libffi@3.3%gcc@9.3.0 patches=26f26c6f29a7ce9bf370ad3ab2610f99365b4bdd7b82e7c31df41a3370d685c0 arch=linux-centos7-x86_64
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^uuid@1.6.2%gcc@9.3.0 arch=linux-centos7-x86_64
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||||
^py-cython@0.29.21%gcc@9.3.0 arch=linux-centos7-x86_64
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^py-h5py@2.10.0%gcc@9.3.0+mpi arch=linux-centos7-x86_64
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||||
^py-mpi4py@3.0.3%gcc@9.3.0 arch=linux-centos7-x86_64
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^py-numpy@1.19.4%gcc@9.3.0+blas+lapack arch=linux-centos7-x86_64
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^openblas@0.3.12%gcc@9.3.0~consistent_fpcsr~ilp64+pic+shared threads=none arch=linux-centos7-x86_64
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^py-pkgconfig@1.5.1%gcc@9.3.0 arch=linux-centos7-x86_64
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||||
^py-nose@1.3.7%gcc@9.3.0 arch=linux-centos7-x86_64
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||||
^py-six@1.14.0%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-ipython@7.18.1%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-backcall@0.1.0%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-decorator@4.4.2%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-jedi@0.13.3%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-parso@0.6.1%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-pexpect@4.7.0%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-ptyprocess@0.6.0%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-pickleshare@0.7.5%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-prompt-toolkit@2.0.9%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-wcwidth@0.1.7%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-pygments@2.6.1%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-traitlets@5.0.4%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-ipython-genutils@0.2.0%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-lxml@4.5.2%gcc@9.3.0~cssselect~html5~htmlsoup arch=linux-centos7-x86_64
|
||||
^libxslt@1.1.33%gcc@9.3.0+crypto~python arch=linux-centos7-x86_64
|
||||
^libgcrypt@1.8.5%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^libgpg-error@1.37%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^gawk@5.0.1%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^gmp@6.1.2%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^mpfr@4.0.2%gcc@9.3.0 patches=3f80b836948aa96f8d1cb9cc7f3f55973f19285482a96f9a4e1623d460bcccf0 arch=linux-centos7-x86_64
|
||||
^autoconf-archive@2019.01.06%gcc@9.3.0 arch=linux-centos7-x86_64
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||||
^py-matplotlib@3.3.3%gcc@9.3.0~animation~fonts+image~latex~movies backend=agg arch=linux-centos7-x86_64
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^freetype@2.10.1%gcc@9.3.0 arch=linux-centos7-x86_64
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^libpng@1.6.37%gcc@9.3.0 arch=linux-centos7-x86_64
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||||
^py-certifi@2020.6.20%gcc@9.3.0 arch=linux-centos7-x86_64
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^py-cycler@0.10.0%gcc@9.3.0 arch=linux-centos7-x86_64
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||||
^py-kiwisolver@1.1.0%gcc@9.3.0 arch=linux-centos7-x86_64
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^py-pillow@7.2.0%gcc@9.3.0~freetype~imagequant+jpeg~jpeg2000~lcms~tiff~webp~webpmux~xcb+zlib arch=linux-centos7-x86_64
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^libjpeg-turbo@2.0.4%gcc@9.3.0 arch=linux-centos7-x86_64
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||||
^nasm@2.15.05%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-pyparsing@2.4.7%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-python-dateutil@2.8.0%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-setuptools-scm@4.1.2%gcc@9.3.0+toml arch=linux-centos7-x86_64
|
||||
^py-toml@0.10.2%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^qhull@2020.1%gcc@9.3.0~ipo build_type=Release arch=linux-centos7-x86_64
|
||||
^py-pandas@1.1.4%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-bottleneck@1.2.1%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-numexpr@2.7.0%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-pytz@2020.1%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-scipy@1.5.4%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
^py-pybind11@2.5.0%gcc@9.3.0~ipo build_type=Release arch=linux-centos7-x86_64
|
||||
^py-uncertainties@3.1.4%gcc@9.3.0~docs~optional arch=linux-centos7-x86_64
|
||||
^py-future@0.18.2%gcc@9.3.0 arch=linux-centos7-x86_64
|
||||
|
||||
Once installed, environment/lmod modules can be generated or Spack's `load` feature
|
||||
can be used to access the installed packages.
|
||||
|
||||
.. _Spack: https://spack.readthedocs.io/en/latest/
|
||||
.. _setup guide: https://spack.readthedocs.io/en/latest/getting_started.html
|
||||
|
||||
.. _install_source:
|
||||
|
||||
----------------------
|
||||
|
|
|
|||
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