ce3ab503de
## Motivation Python installations are both important and unfortunately inconsistent. Depending on the Python version, OS, and the strength of the Earth's magnetic field when it was installed, the name of the Python executable, directory containing its libraries, library names, and the directory containing its headers can vary drastically. I originally got into this mess with #3274, where I discovered that Boost could not be built with Python 3 because the executable is called `python3` and we were telling it to use `python`. I got deeper into this mess when I started hacking on #3140, where I discovered just how difficult it is to find the location and name of the Python libraries and headers. Currently, half of the packages that depend on Python and need to know this information jump through hoops to determine the correct information. The other half are hard-coded to use `python`, `spec['python'].prefix.lib`, and `spec['python'].prefix.include`. Obviously, none of these packages would work for Python 3, and there's no reason to duplicate the effort. The Python package itself should contain all of the information necessary to use it properly. This is in line with the recent work by @alalazo and @davydden with respect to `spec['blas'].libs` and friends. ## Prefix For most packages in Spack, we assume that the installation directory is `spec['python'].prefix`. This generally works for anything installed with Spack, but gets complicated when we include external packages. Python is a commonly used external package (it needs to be installed just to run Spack). If it was installed with Homebrew, `which python` would return `/usr/local/bin/python`, and most users would erroneously assume that `/usr/local` is the installation directory. If you peruse through #2173, you'll immediately see why this is not the case. Homebrew actually installs Python in `/usr/local/Cellar/python/2.7.12_2` and symlinks the executable to `/usr/local/bin/python`. `PYTHONHOME` (and presumably most things that need to know where Python is installed) needs to be set to the actual installation directory, not `/usr/local`. Normally I would say, "sounds like user error, make sure to use the real installation directory in your `packages.yaml`". But I think we can make a special case for Python. That's what we decided in #2173 anyway. If we change our minds, I would be more than happy to simplify things. To solve this problem, I created a `spec['python'].home` attribute that works the same way as `spec['python'].prefix` but queries Python to figure out where it was actually installed. @tgamblin Is there any way to overwrite `spec['python'].prefix`? I think it's currently immutable. ## Command In general, Python 2 comes with both `python` and `python2` commands, while Python 3 only comes with a `python3` command. But this is up to the OS developers. For example, `/usr/bin/python` on Gentoo is actually Python 3. Worse yet, if someone is using an externally installed Python, all 3 commands may exist in the same directory! Here's what I'm thinking: If the spec is for Python 3, try searching for the `python3` command. If the spec is for Python 2, try searching for the `python2` command. If neither are found, try searching for the `python` command. ## Libraries Spack installs Python libraries in `spec['python'].prefix.lib`. Except on openSUSE 13, where it installs to `spec['python'].prefix.lib64` (see #2295 and #2253). On my CentOS 6 machine, the Python libraries are installed in `/usr/lib64`. Both need to work. The libraries themselves change name depending on OS and Python version. For Python 2.7 on macOS, I'm seeing: ``` lib/libpython2.7.dylib ``` For Python 3.6 on CentOS 6, I'm seeing: ``` lib/libpython3.so lib/libpython3.6m.so.1.0 lib/libpython3.6m.so -> lib/libpython3.6m.so.1.0 ``` Notice the `m` after the version number. Yeah, that's a thing. ## Headers In Python 2.7, I'm seeing: ``` include/python2.7/pyconfig.h ``` In Python 3.6, I'm seeing: ``` include/python3.6m/pyconfig.h ``` It looks like all Python 3 installations have this `m`. Tested with Python 3.2 and 3.6 on macOS and CentOS 6 Spack has really nice support for libraries (`find_libraries` and `LibraryList`), but nothing for headers. Fixed.
118 lines
4.8 KiB
Python
118 lines
4.8 KiB
Python
##############################################################################
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# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
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# Produced at the Lawrence Livermore National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/llnl/spack
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# Please also see the LICENSE file for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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import os
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class HoomdBlue(CMakePackage):
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"""HOOMD-blue is a general-purpose particle simulation toolkit. It scales
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from a single CPU core to thousands of GPUs.
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You define particle initial conditions and interactions in a high-level
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python script. Then tell HOOMD-blue how you want to execute the job and it
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takes care of the rest. Python job scripts give you unlimited flexibility
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to create custom initialization routines, control simulation parameters,
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and perform in situ analysis."""
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homepage = "http://glotzerlab.engin.umich.edu/hoomd-blue/"
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git = "https://bitbucket.org/glotzer/hoomd-blue"
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# TODO: There is a bug in Spack that requires a url to be defined
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# even if it isn't used. These URLs can hopefully be removed someday.
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url = "https://bitbucket.org/glotzer/hoomd-blue/get/v2.1.6.tar.bz2"
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list_url = "https://bitbucket.org/glotzer/hoomd-blue/downloads/?tab=tags"
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version('develop', git=git, submodules=True)
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# Bitbucket has tarballs for each release, but they cannot be built.
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# The tarball doesn't come with the git submodules, nor does it come
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# with a .git directory, causing the build to fail. As a workaround,
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# clone a specific tag from Bitbucket instead of using the tarballs.
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# https://bitbucket.org/glotzer/hoomd-blue/issues/238
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version('2.1.6', git=git, tag='v2.1.6', submodules=True)
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variant('mpi', default=True, description='Compile with MPI enabled')
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variant('cuda', default=True, description='Compile with CUDA Toolkit')
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variant('doc', default=False, description='Generate documentation')
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# HOOMD-blue requires C++11 support, which is only available in GCC 4.7+
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# https://bitbucket.org/glotzer/hoomd-blue/issues/238
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# https://gcc.gnu.org/projects/cxx-status.html
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conflicts('%gcc@:4.6')
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# HOOMD-blue uses hexadecimal floats, which are not technically part of
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# the C++11 standard. GCC 6.0+ produces an error when this happens.
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# https://bitbucket.org/glotzer/hoomd-blue/issues/239
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# https://bugzilla.redhat.com/show_bug.cgi?id=1321986
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conflicts('%gcc@6.0:')
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extends('python')
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depends_on('python@2.7:')
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depends_on('py-numpy@1.7:', type=('build', 'run'))
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depends_on('cmake@2.8.0:', type='build')
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depends_on('pkg-config', type='build')
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depends_on('mpi', when='+mpi')
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depends_on('cuda@7.0:', when='+cuda')
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depends_on('doxygen@1.8.5:', when='+doc', type='build')
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def cmake_args(self):
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spec = self.spec
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cmake_args = [
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'-DPYTHON_EXECUTABLE={0}'.format(spec['python'].command.path),
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]
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# MPI support
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if '+mpi' in spec:
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os.environ['MPI_HOME'] = spec['mpi'].prefix
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cmake_args.append('-DENABLE_MPI=ON')
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else:
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cmake_args.append('-DENABLE_MPI=OFF')
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# CUDA support
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if '+cuda' in spec:
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cmake_args.append('-DENABLE_CUDA=ON')
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else:
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cmake_args.append('-DENABLE_CUDA=OFF')
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# CUDA-aware MPI library support
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# if '+cuda' in spec and '+mpi' in spec:
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# cmake_args.append('-DENABLE_MPI_CUDA=ON')
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# else:
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# cmake_args.append('-DENABLE_MPI_CUDA=OFF')
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# There may be a bug in the MPI-CUDA code. See:
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# https://groups.google.com/forum/#!msg/hoomd-users/2griTESmc5I/E69s_M5fDwAJ
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# This prevented "make test" from passing for me.
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cmake_args.append('-DENABLE_MPI_CUDA=OFF')
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# Documentation
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if '+doc' in spec:
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cmake_args.append('-DENABLE_DOXYGEN=ON')
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else:
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cmake_args.append('-DENABLE_DOXYGEN=OFF')
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return cmake_args
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