Added mdengine test

[MateaTuralija]

No description provided.

[hejung]

Hi, thanks for contributing another test!

I already started implementing some tests in #33 (admittedly the PR title is a bit misleading), would it work for you to rebase on this PR?
This would have the benefit that you can directly use the pytest setup method, fixtures and marks that I wrote for test that need gromacs installed, like this one:

asyncmd/tests/gromacs/test_mdengine.py

Line 113 in 1f1677d

@pytest.mark.slow

, and that do not need gromacs, like this one:

asyncmd/tests/gromacs/test_mdengine.py

Line 39 in 1f1677d

@pytest.mark.parametrize("integrator", ["steep", "cg", "l-bfgs"])

.

If it is easier for you I can also merge #33 before you rebase, I just did not merge it because I had hoped to write some more test when I find the time.

[MateaTuralija]

Hi, thanks for contributing another test!

I already started implementing some tests in #33 (admittedly the PR title is a bit misleading), would it work for you to rebase on this PR? This would have the benefit that you can directly use the pytest setup method, fixtures and marks that I wrote for test that need gromacs installed, like this one:

asyncmd/tests/gromacs/test_mdengine.py

Line 113 in 1f1677d

@pytest.mark.slow

, and that do not need gromacs, like this one:

asyncmd/tests/gromacs/test_mdengine.py

Line 39 in 1f1677d

@pytest.mark.parametrize("integrator", ["steep", "cg", "l-bfgs"])

.
If it is easier for you I can also merge #33 before you rebase, I just did not merge it because I had hoped to write some more test when I find the time.

Hi, thanks for the super-quick feedback!

Feel free to merge #33 whenever it works for you and I will rebase my changes on top of it afterwards.

[hejung]

I merged #33 just now, I hope it does not make too much inconveniences for you.

Let me know if there is anything I can help you with!