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35 """A utility module to help manage the matrix of configurations for CI testing and build containers.
37 When called as a stand alone script, prints a Docker image name based on the
38 command line arguments. The Docker image name is of the form used in the GROMACS
43 $ python3 -m utility --llvm --doxygen
44 gromacs/ci-ubuntu-18.04-llvm-7-docs
49 As a module, provides importable argument parser and docker image name generator.
51 Note that the parser is created with ``add_help=False`` to make it friendly as a
52 parent parser, but this means that you must derive a new parser from it if you
53 want to see the full generated command line help.
58 # utility.parser does not support `-h` or `--help`
59 parser = argparse.ArgumentParser(
60 description='GROMACS CI image creation script',
61 parents=[utility.parser])
62 # ArgumentParser(add_help=True) is default, so parser supports `-h` and `--help`
65 :file:`scripted_gmx_docker_builds.py`
68 * Paul Bauer <paul.bauer.q@gmail.com>
69 * Eric Irrgang <ericirrgang@gmail.com>
70 * Joe Jordan <e.jjordan12@gmail.com>
71 * Mark Abraham <mark.j.abraham@gmail.com>
78 parser = argparse.ArgumentParser(description='GROMACS CI image slug options.', add_help=False)
79 """A parent parser for tools referencing image parameters.
81 This argparse parser is defined for convenience and may be used to partially initialize
84 .. warning:: Do not modify this parser.
86 Instead, inherit from it with the *parents* argument to :py:class:`argparse.ArgumentParser`
89 parser.add_argument('--cmake', nargs='*', type=str, default=['3.13.0', '3.15.7', '3.17.2'],
90 help='Selection of CMake version to provide to base image')
92 compiler_group = parser.add_mutually_exclusive_group()
93 compiler_group.add_argument('--gcc', type=int, nargs='?', const=7, default=7,
94 help='Select GNU compiler tool chain. (Default) '
95 'Some checking is implemented to avoid incompatible combinations')
96 compiler_group.add_argument('--llvm', type=str, nargs='?', const='7', default=None,
97 help='Select LLVM compiler tool chain. '
98 'Some checking is implemented to avoid incompatible combinations')
99 compiler_group.add_argument('--icc', type=int, nargs='?', const=19, default=None,
100 help='Select Intel compiler tool chain. '
101 'Some checking is implemented to avoid incompatible combinations')
102 # TODO currently the installation merely gets the latest beta version of oneAPI,
103 # not a specific version. GROMACS probably doesn't need to address that until
104 # oneAPI makes an official release. Also, the resulting container is a mix
105 # of packages with different betaXY version numbers, which hopefully works and
106 # is what Intel intends...
107 compiler_group.add_argument('--oneapi', type=str, nargs='?', const="2021.1-beta09", default=None,
108 help='Select Intel oneAPI package version.')
110 linux_group = parser.add_mutually_exclusive_group()
111 # Ubuntu 20+ is not yet tested. See issue #3680
112 linux_group.add_argument('--ubuntu', type=str, nargs='?', const='18.04', default='18.04',
113 help='Select Ubuntu Linux base image. (default: ubuntu 18.04)')
114 linux_group.add_argument('--centos', type=str, nargs='?', const='7', default=None,
115 help='Select Centos Linux base image.')
117 parser.add_argument('--cuda', type=str, nargs='?', const='10.2', default=None,
118 help='Select a CUDA version for a base Linux image from NVIDIA.')
120 parser.add_argument('--mpi', type=str, nargs='?', const='openmpi', default=None,
121 help='Enable MPI (default disabled) and optionally select distribution (default: openmpi)')
123 parser.add_argument('--tsan', type=str, nargs='?', const='llvm', default=None,
124 help='Build special compiler versions with TSAN OpenMP support')
126 parser.add_argument('--clfft', type=str, nargs='?', const='master', default=None,
127 help='Add external clFFT libraries to the build image')
129 parser.add_argument('--doxygen', type=str, nargs='?', const='1.8.5', default=None,
130 help='Add doxygen environment for documentation builds. Also adds other requirements needed for final docs images.')
132 # Supported Python versions for maintained branches.
133 _python_versions = ['3.6.10', '3.7.7', '3.8.2']
134 parser.add_argument('--venvs', nargs='*', type=str, default=_python_versions,
135 help='List of Python versions ("major.minor.patch") for which to install venvs. '
136 'Default: {}'.format(' '.join(_python_versions)))
139 def image_name(configuration: argparse.Namespace) -> str:
140 """Generate docker image name.
142 The configuration slug has the form::
144 <distro>-<version>-<compiler>-<major version>[-<gpusdk>-<version>][-<use case>]
146 Image name is prefixed by ``gromacs/ci-``
149 configuration: Docker image configuration as described by the parsed arguments.
153 for distro in ('centos', 'ubuntu'):
154 version = getattr(configuration, distro, None)
155 if version is not None:
156 elements.append(distro + '-' + version)
158 for compiler in ('icc', 'llvm', 'gcc'):
159 version = getattr(configuration, compiler, None)
160 if version is not None:
161 elements.append(compiler + '-' + str(version).split('.')[0])
163 for gpusdk in ('cuda',):
164 version = getattr(configuration, gpusdk, None)
165 if version is not None:
166 elements.append(gpusdk + '-' + version)
167 if configuration.oneapi is not None:
168 elements.append('oneapi-' + configuration.oneapi)
170 # Check for special cases
171 # The following attribute keys indicate the image is built for the named
173 cases = {'doxygen': 'docs',
176 value = getattr(configuration, attr, None)
177 if value is not None:
178 elements.append(cases[attr])
179 slug = '-'.join(elements)
180 return 'gromacs/ci-' + slug
183 if __name__ == "__main__":
184 args = argparse.ArgumentParser(parents=[parser]).parse_args()
185 print(image_name(args))