Update docker image build scripts for master branch.

CI infrastructure has been back-ported to the `release-2020` branch,
so we can clean up the extra pieces that existed to support multiple
releases. This change does not require immediate rebuilds of the images.
The next time images are rebuilt, fewer images will be built and they
will be slightly smaller.

diff --git a/admin/containers/buildall.sh b/admin/containers/buildall.sh
index b2d16b1e0ac34dde74b50b484d611a94f2fc2f73..00d5570b87ee77fe8b870f85ad9b767a8e0d37d1 100644 (file)
--- a/admin/containers/buildall.sh
+++ b/admin/containers/buildall.sh
@@ -9,46 +9,6 @@ SCRIPT=$PWD/scripted_gmx_docker_builds.py
 # images needed, because the same one can test library,
 # thread and no MPI configurations.
 
-tag="gromacs/cmake-3.9.6-gcc-5-cuda-9.0-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.9.6 --gcc 5 --cuda 9.0 --ubuntu 16.04 --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.9.6 --gcc 6 --cuda 10.1 --opencl --clfft --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.9.6 --gcc 7 --opencl amd --clfft --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.15.7-gcc-8-cuda-10.1-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.15.7 --gcc 8 --cuda 10.1 --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.9.6-gcc-9-cuda-10.0-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.9.6 --gcc 9 --cuda 10.0 --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.11.4-llvm-8-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.11.4 --llvm 8 --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.15.7-llvm-8-tsan:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.15.7 --llvm 8 --tsan | docker build -t $tag -
-
-tag="gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.15.7 --llvm 8 --cuda 10.1 --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.15.7 --llvm 8 --opencl intel --mpi openmpi | docker build -t $tag -
-
-tag="gromacs/cmake-3.9.6-llvm-8-amdopencl-openmpi:2020"
-tags[${#tags[@]}]=$tag
-python3 $SCRIPT --cmake 3.9.6 --llvm 8 --opencl amd --mpi openmpi | docker build -t $tag -
-
 tag="gromacs/cmake-3.15.7-gcc-8-cuda-10.1-nvidiaopencl-clfft-openmpi:master"
 tags[${#tags[@]}]=$tag
 python3 $SCRIPT --cmake 3.15.7 --gcc 8 --cuda 10.1 --opencl --clfft --mpi openmpi \

diff --git a/admin/containers/scripted_gmx_docker_builds.py b/admin/containers/scripted_gmx_docker_builds.py
index 1efd05b5dca874499c26c136c0d9924f308d77a9..266597c19279443623f52289be8036e368a40c0a 100644 (file)
--- a/admin/containers/scripted_gmx_docker_builds.py
+++ b/admin/containers/scripted_gmx_docker_builds.py
@@ -133,8 +133,7 @@ _docs_extra_packages = ['autoconf',
                         'texlive-fonts-extra']
 
 # Supported Python versions for maintained branches.
-# TODO: Remove '3.5.9' from defaults in master once script in release-2020 diverges.
-_python_versions = ['3.5.9', '3.6.10', '3.7.7', '3.8.2']
+_python_versions = ['3.6.10', '3.7.7', '3.8.2']
 
 # Parse command line arguments
 parser = argparse.ArgumentParser(description='GROMACS CI image creation script', parents=[utility.parser])
@@ -320,15 +319,15 @@ def prepare_venv(version: StrictVersion) -> typing.Sequence[str]:
     # WARNING: Please keep this list synchronized with python_packaging/requirements-test.txt
     # TODO: Get requirements.txt from an input argument.
     commands.append("""{path}/bin/python -m pip install --upgrade \
-            'cmake>=3.9.6' \
+            'cmake>=3.13' \
             'flake8>=3.7.7' \
-            'mpi4py>=2' \
+            'mpi4py>=3.0.3' \
             'networkx>=2.0' \
             'numpy>=1' \
             'pip>=10.1' \
             'pytest>=3.9' \
-            'setuptools>=28.0.0' \
-            'scikit-build>=0.7'""".format(path=venv_path))
+            'setuptools>=42' \
+            'scikit-build>=0.10'""".format(path=venv_path))
 
     return commands