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prehensilecode / alphafold_singularity

Singularity recipe for AlphaFold
GNU General Public License v3.0
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openmm.patch file missing referenced by Singularity.def #12

Closed amichaleas closed 2 years ago

amichaleas commented 2 years ago

Apply OpenMM patch.

cd /opt/conda/lib/python3.7/site-packages patch -p0 < /app/alphafold/docker/openmm.patch

Where can I acquire this openmm.patch file?

Singularity Build Error:

/.post.script: 75: /.post.script: cannot open /app/alphafold/docker/openmm.patch: No such file

prehensilecode commented 2 years ago

It is in the AlphaFold source distribution, in the docker subdirectory: https://github.com/deepmind/alphafold/tree/main/docker

prehensilecode commented 2 years ago

Apply OpenMM patch.

cd /opt/conda/lib/python3.7/site-packages patch -p0 < /app/alphafold/docker/openmm.patch

Where can I acquire this openmm.patch file?

Singularity Build Error:

/.post.script: 75: /.post.script: cannot open /app/alphafold/docker/openmm.patch: No such file

  • patch -p0 FATAL: While performing build: while running engine: exit status 2

You should not get this message if you have followed the instructions exactly. I.e. cloned this repo as a subdirectory of the alphafold directory from the alphafold repo.