Update `build.yml` and CI/CD workflow

[Cmurilochem]

Following our previous discussions, we should update our build.yml file to allow our CI/CD workflow to perform:

• "nightly builds"
• unit and integration tests for all ASE calculators that qc2 implements so far.

This latter will require the use of a test conda environment to install psi4 and also a "on-the-fly" compilation of ROSE and/or DIRAC.

For the nightly builds, @aritoka will check possibilities within Surf Research Cloud.