use CUDA variant of OpenMM 7.5.1 as dependency for AlphaFold 2.3.0

[boegel]

(created using eb --new-pr)

fix for runtime problem with AlphaFold 2.3.0 during minimization step:

I0317 12:32:58.607377 23135456418688 amber_minimize.py:417] There is no registered Platform called "CUDA"
...
Traceback (most recent call last):
...
  File "/software/AlphaFold/2.3.0-foss-2021b-CUDA-11.4.1/lib/python3.9/site-packages/alphafold/relax/amber_minimize.py", line 419, in _run_one_iteration
    raise ValueError(f"Minimization failed after {max_attempts} attempts.")
ValueError: Minimization failed after 100 attempts.

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node3309.joltik.os - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), 1 x NVIDIA Tesla V100-SXM2-32GB, 530.30.02, Python 3.6.8
See https://gist.github.com/boegel/819aac628879811848044246aa82635e for a full test report.

[Micket]

lgtm

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node3905.accelgor.os - Linux RHEL 8.6, x86_64, AMD EPYC 7413 24-Core Processor (zen3), 1 x NVIDIA NVIDIA A100-SXM4-80GB, 530.30.02, Python 3.6.8
See https://gist.github.com/boegel/49ffb829a750d2e8fb485ebefb2354ad for a full test report.

[Micket]

Test report by @Micket
FAILED
Build succeeded for 0 out of 2 (2 easyconfigs in total)
alvis1-10 - Linux Rocky Linux 8.6, x86_64, Intel(R) Xeon(R) Gold 6244 CPU @ 3.60GHz, 2 x NVIDIA Tesla V100-SXM2-32GB, 520.61.05, Python 3.6.8
See https://gist.github.com/Micket/654c90b4646d295a291c2c5be8d91e73 for a full test report.

[Micket]

Test report by @Micket
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
alvis4-34 - Linux Rocky Linux 8.6, x86_64, Intel(R) Xeon(R) Gold 6338 CPU @ 2.00GHz, 4 x NVIDIA NVIDIA A100-SXM4-40GB, 520.61.05, Python 3.6.8
See https://gist.github.com/Micket/766d6e0ce26df7205093fb2a267ce48c for a full test report.

[branfosj]

The first of @Micket test reports failed with:

exception: Assertion failure at TestDrudeNoseHoover.h:292.  Expected 1, found 0.989703 (This test is stochastic and may occasionally fail)

so I am happy to ignore that failure.

[branfosj]

Going in, thanks @boegel!