Portability

Intel classic compiler (icc/icpc) no longer supported

We now support the Intel clang-based compiler from oneAPI (icx/icpx) instead. Please use it, or gcc.

Issue 3893

Provisional: Initialize GMX_INSTALL_NBLIB_API and GMXAPI build options from BUILD_SHARED_LIBS

CMake options GMXAPI and GMX_INSTALL_NBLIB_API produce shared object libraries, so their default values are now initialized from BUILD_SHARED_LIBS. Pending movement on Issue 3605 and related issues, the coupling between these options is subject to change, but users generally should not need to manually set GMXAPI and GMX_INSTALL_NBLIB_API.

Issue 4053

Bundle muparser

GROMACS now bundles MuParser version 2.3. It is also possible to link to an external provided library.