rename "gmx select"
"select" is a bash flow control command. Adding the command "gmx select ..." in front of a bash for loop makes vim bash highlighting think the done statement is incorrectly placed. Not an actual error, but it does complicate script debugging. One could imagine similar complications with tools like "gmx done" or "gmx if"
Suggest rename the select tool to gmx selection or gmx selector or something else
Improve sample_restraint project integration.
Build for testing as part of a gmxapi enabled GROMACS build. Fix some
errors and collisions.
- Use distinct CMake options for using bundled pybind sources in
gmxapi Python package and sample_restraint package.
- Distinguish between "umbrella" build and standalone build when
trying to determine googletest source for sample_restraint.
- Avoid a couple of warnings about unused variables.
- Use GTest::Main target more consistently for sample_restraint tests.