admin/containers/utility.py

   1 #
   2 # This file is part of the GROMACS molecular simulation package.
   3 #
   4 # Copyright (c) 2020, by the GROMACS development team, led by
   5 # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6 # and including many others, as listed in the AUTHORS file in the
   7 # top-level source directory and at http://www.gromacs.org.
   8 #
   9 # GROMACS is free software; you can redistribute it and/or
  10 # modify it under the terms of the GNU Lesser General Public License
  11 # as published by the Free Software Foundation; either version 2.1
  12 # of the License, or (at your option) any later version.
  13 #
  14 # GROMACS is distributed in the hope that it will be useful,
  15 # but WITHOUT ANY WARRANTY; without even the implied warranty of
  16 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  17 # Lesser General Public License for more details.
  18 #
  19 # You should have received a copy of the GNU Lesser General Public
  20 # License along with GROMACS; if not, see
  21 # http://www.gnu.org/licenses, or write to the Free Software Foundation,
  22 # Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  23 #
  24 # If you want to redistribute modifications to GROMACS, please
  25 # consider that scientific software is very special. Version
  26 # control is crucial - bugs must be traceable. We will be happy to
  27 # consider code for inclusion in the official distribution, but
  28 # derived work must not be called official GROMACS. Details are found
  29 # in the README & COPYING files - if they are missing, get the
  30 # official version at http://www.gromacs.org.
  31 #
  32 # To help us fund GROMACS development, we humbly ask that you cite
  33 # the research papers on the package. Check out http://www.gromacs.org.
  34
  35 """A `utility` module helps manage the matrix of configurations for CI testing and build containers.
  36
  37 Provides importable argument parser.
  38
  39 Authors:
  40     * Paul Bauer <paul.bauer.q@gmail.com>
  41     * Eric Irrgang <ericirrgang@gmail.com>
  42     * Joe Jordan <e.jjordan12@gmail.com>
  43     * Mark Abraham <mark.j.abraham@gmail.com>
  44
  45 """
  46
  47 import argparse
  48
  49
  50 parser = argparse.ArgumentParser(description='GROMACS CI image slug options.', add_help=False)
  51 """A parent parser for tools referencing image parameters.
  52
  53 This argparse parser is defined for convenience and may be used to partially initialize
  54 parsers for tools.
  55
  56 .. warning:: Do not modify this parser.
  57
  58     Instead, inherit from it with the *parents* argument to :py:class:`argparse.ArgumentParser`
  59 """
  60
  61 parser.add_argument('--cmake', type=str, default='3.13.0',
  62                     help='Selection of CMake version to provide to base image')
  63 compiler_group = parser.add_mutually_exclusive_group()
  64 compiler_group.add_argument('--gcc', type=int, nargs='?', const=7, default=7,
  65                             help='Select GNU compiler tool chain. (Default) '
  66                                  'Some checking is implemented to avoid incompatible combinations')
  67 compiler_group.add_argument('--llvm', type=str, nargs='?', const='7', default=None,
  68                             help='Select LLVM compiler tool chain. '
  69                                  'Some checking is implemented to avoid incompatible combinations')
  70 compiler_group.add_argument('--icc', type=int, nargs='?', const=19, default=None,
  71                             help='Select Intel compiler tool chain. '
  72                                  'Some checking is implemented to avoid incompatible combinations')
  73 # TODO currently the installation merely gets the latest beta version of oneAPI,
  74 # not a specific version. GROMACS probably doesn't need to address that until
  75 # oneAPI makes an official release. Also, the resulting container is a mix
  76 # of packages with different betaXY version numbers, which hopefully works and
  77 # is what Intel intends...
  78 compiler_group.add_argument('--oneapi', type=str, nargs='?', const="2021.1-beta09", default=None,
  79                             help='Select Intel oneAPI package version.')
  80
  81 linux_group = parser.add_mutually_exclusive_group()
  82 # Ubuntu 20+ is not yet tested. See issue #3680
  83 linux_group.add_argument('--ubuntu', type=str, nargs='?', const='18.04', default='18.04',
  84                          help='Select Ubuntu Linux base image. (default: ubuntu 18.04)')
  85 linux_group.add_argument('--centos', type=str, nargs='?', const='7', default=None,
  86                          help='Select Centos Linux base image.')
  87
  88 parser.add_argument('--cuda', type=str, nargs='?', const='10.2', default=None,
  89                     help='Select a CUDA version for a base Linux image from NVIDIA.')
  90
  91 parser.add_argument('--mpi', type=str, nargs='?', const='openmpi', default=None,
  92                     help='Enable MPI (default disabled) and optionally select distribution (default: openmpi)')
  93
  94 parser.add_argument('--tsan', type=str, nargs='?', const='llvm', default=None,
  95                     help='Build special compiler versions with TSAN OpenMP support')
  96
  97 parser.add_argument('--opencl', type=str, nargs='?', const='nvidia', default=None,
  98                     help='Provide environment for OpenCL builds')
  99
 100 parser.add_argument('--clfft', type=str, nargs='?', const='master', default=None,
 101                     help='Add external clFFT libraries to the build image')
 102
 103 parser.add_argument('--doxygen', type=str, nargs='?', const='1.8.5', default=None,
 104                     help='Add doxygen environment for documentation builds. Also adds other requirements needed for final docs images.')