Update containers for Linux CI builds #554
Merged
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Adding a new container based on CentOS Stream 9, with a package selection equivalent to the pre-existing CentOS 7 container. Although CentOS 7 supports some recent GCC versions, the rest of the OS is quite ancient.
Note: there is a continuing discussion about Red Hat Enterprise Linux, its clones, and other distributions such as Debian or Ubuntu. The choice of CentOS 9 in this PR is only intended out of convenience.
With the addition of GCC 12 and Clang 16 alongside the older 4.8 and 3.3, there is a better mix of old and new compilers to test on. For now the backends are still built on CentOS 7, because some regression tests fail slightly (1.0e-5), but otherwise all backends will build and run on the newer container as well.
Notably, when VMD is built with GCC 11, it will assume the default standard, which is C++17, i.e. no patching is needed to build VMD in compliance with modern C++. Maybe we could add Lepton to the build test as well?
Input welcome from all. @HubLot specifically should comment on whether we should build GROMACS on CentOS 9 or wait to change that until the MDModules interface is merged here.