Cmake

[LecrisUT]

I have rebased the branch in #440 to point to the current develop head. Also reconfigured the GitHub workflows to run through ctest. Many things were deleted from the old workflow as I copied the workflow from other projects. If there is something missing that should be there, let me know.

Also there are a few improvements from the last cmake PR:

• More readable top-level CMakeLists
• Fixed the install path of the Fortran modules to point to ABI specific location. See comments inside for more details

[LecrisUT]

@JeromeCCP9 I have rebased your commits to the current develop HEAD so that hopefully this can be merged ahead of the other. Would appreciate if you could assign someone to look at the test failures

[LecrisUT]

Note: wannier_lib.F90 is not properly installed for this one because the subroutines are global. libdev-interface should fix that and I have fixed them in https://github.com/LecrisUT/wannier90/tree/cmake

[JeromeCCP9]

@LecrisUT This is great! wannier_lib.F90 is obsolete now and I'll remove it, and I'll fix the test failures. I'll go through this now and reply again...

[LecrisUT]

wannier_lib.F90 is obsolete now

Indeed, but I think for this PR, we just make the basic cmake builder and CI so that there is a base framework to work with. It would not be production ready, but then when libdev-interface we include the relevant parts.

There are a few other minor issues that should be addressed, but let's focus on this PR to get the github action running, then I can address some of them. E.g. besides this PR, I think we also need #444 to properly test the packaging, such as the usage of find_package(Wannier90). Can you ping someone with write privileges to look at that one?

[LecrisUT]

@JeromeCCP9 I want to squash and redo this PR keeping the makefile build for now. Are you ok with losing your commit authorship for this?

[JeromeCCP9]

Hi! I guess you discussed with Giovanni P at the ESL meeting?

When we talked last week, along with some other folks, we decided indeed to keep the usual makefile and setup cmake in parallel (despite this being a bit messy).

What would you like to do? My plan was to close this PR and setup a new one adding (a slimmed down) CMakeLists setup to that.

[LecrisUT]

Yes, basically I want to:

• PR1: Add the CMake build (more or less this version)
• PR1: Expand (and reorganize) the github actions to cover more compilers and build variants. For now I will put it in the same PR in order to run tests properly, but later we can separate them if needing more discussions.
• PR2: Test and fix macos build. @giovannipizzi I will discuss more in that PR so we can have some CI tests to share the error logs

[JeromeCCP9]

That sounds great to me!

In which case I will not touch the cmake etc for a while unless you mention me here or so (you can also email me if I am slow etc).

[LecrisUT]

Expect PRs in a few min ;)

[LecrisUT]

Superseeded by #487