#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2020, by the GROMACS development team, led by
+# Copyright (c) 2020,2021, by the GROMACS development team, led by
# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
# and including many others, as listed in the AUTHORS file in the
# top-level source directory and at http://www.gromacs.org.
Example::
$ python3 -m utility --llvm --doxygen
- gromacs/ci-ubuntu-18.04-llvm-7-docs
+ gromacs/ci-ubuntu-20.04-llvm-7-docs
See Also:
:file:`buildall.sh`
* Eric Irrgang <ericirrgang@gmail.com>
* Joe Jordan <e.jjordan12@gmail.com>
* Mark Abraham <mark.j.abraham@gmail.com>
+ * Gaurav Garg <gaugarg@nvidia.com>
"""
Instead, inherit from it with the *parents* argument to :py:class:`argparse.ArgumentParser`
"""
-parser.add_argument('--cmake', nargs='*', type=str, default=['3.13.0', '3.15.7', '3.17.2'],
+parser.add_argument('--cmake', nargs='*', type=str, default=['3.16.3', '3.17.2', '3.18.4', '3.21.2'], # new minimum required versions
help='Selection of CMake version to provide to base image')
compiler_group = parser.add_mutually_exclusive_group()
compiler_group.add_argument('--llvm', type=str, nargs='?', const='7', default=None,
help='Select LLVM compiler tool chain. '
'Some checking is implemented to avoid incompatible combinations')
-compiler_group.add_argument('--icc', type=int, nargs='?', const=19, default=None,
- help='Select Intel compiler tool chain. '
- 'Some checking is implemented to avoid incompatible combinations')
# TODO currently the installation merely gets the latest beta version of oneAPI,
# not a specific version. GROMACS probably doesn't need to address that until
# oneAPI makes an official release. Also, the resulting container is a mix
# of packages with different betaXY version numbers, which hopefully works and
# is what Intel intends...
-compiler_group.add_argument('--oneapi', type=str, nargs='?', const="2021.1-beta09", default=None,
+compiler_group.add_argument('--oneapi', type=str, nargs='?', const="2021.1.1", default=None,
help='Select Intel oneAPI package version.')
linux_group = parser.add_mutually_exclusive_group()
-# Ubuntu 20+ is not yet tested. See issue #3680
-linux_group.add_argument('--ubuntu', type=str, nargs='?', const='18.04', default='18.04',
- help='Select Ubuntu Linux base image. (default: ubuntu 18.04)')
+linux_group.add_argument('--ubuntu', type=str, nargs='?', const='20.04', default='20.04',
+ help='Select Ubuntu Linux base image. (default: ubuntu 20.04)')
linux_group.add_argument('--centos', type=str, nargs='?', const='7', default=None,
help='Select Centos Linux base image.')
-parser.add_argument('--cuda', type=str, nargs='?', const='10.2', default=None,
+parser.add_argument('--cuda', type=str, nargs='?', const='11.0', default=None,
help='Select a CUDA version for a base Linux image from NVIDIA.')
parser.add_argument('--mpi', type=str, nargs='?', const='openmpi', default=None,
parser.add_argument('--tsan', type=str, nargs='?', const='llvm', default=None,
help='Build special compiler versions with TSAN OpenMP support')
+parser.add_argument('--hipsycl', type=str, nargs='?', default=None,
+ help='Select hipSYCL repository tag/commit/branch.')
+
+parser.add_argument('--rocm', type=str, nargs='?', const='debian', default=None,
+ help='Select AMD compute engine version.')
+
+parser.add_argument('--intel-compute-runtime', action='store_true', default=False,
+ help='Include Intel Compute Runtime.')
+
parser.add_argument('--clfft', type=str, nargs='?', const='master', default=None,
help='Add external clFFT libraries to the build image')
+parser.add_argument('--heffte', type=str, nargs='?', default=None,
+ help='Select heffte repository tag/commit/branch.')
+
parser.add_argument('--doxygen', type=str, nargs='?', const='1.8.5', default=None,
help='Add doxygen environment for documentation builds. Also adds other requirements needed for final docs images.')
# Supported Python versions for maintained branches.
-_python_versions = ['3.6.10', '3.7.7', '3.8.2']
+_python_versions = ['3.7.7', '3.8.2', '3.9.1']
parser.add_argument('--venvs', nargs='*', type=str, default=_python_versions,
help='List of Python versions ("major.minor.patch") for which to install venvs. '
'Default: {}'.format(' '.join(_python_versions)))
if version is not None:
elements.append(distro + '-' + version)
break
- for compiler in ('icc', 'llvm', 'gcc'):
+ for compiler in ('llvm', 'gcc'):
version = getattr(configuration, compiler, None)
if version is not None:
elements.append(compiler + '-' + str(version).split('.')[0])
break
- for gpusdk in ('cuda',):
+ for gpusdk in ('cuda', 'hipsycl'):
version = getattr(configuration, gpusdk, None)
if version is not None:
elements.append(gpusdk + '-' + version)
if configuration.oneapi is not None:
elements.append('oneapi-' + configuration.oneapi)
+ if configuration.intel_compute_runtime:
+ elements.append('intel-compute-runtime')
+ if configuration.rocm is not None:
+ if (configuration.rocm != 'debian'):
+ elements.append('rocm-' + configuration.rocm)
# Check for special cases
# The following attribute keys indicate the image is built for the named
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff