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Commit 4fde713c authored by Jennifer Wei's avatar Jennifer Wei
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update installation scripts.

parent 7922bd57
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environment.yml
View file @ 4fde713c
...@@ -8,7 +8,7 @@ dependencies: ...@@ -8,7 +8,7 @@ dependencies:
- conda-forge::setuptools=59.5.0 - conda-forge::setuptools=59.5.0
- conda-forge::pip - conda-forge::pip
- conda-forge::cudatoolkit==11.3.* - conda-forge::cudatoolkit==11.3.*
- conda-forge::openmm=7.5.1 - conda-forge::openmm=7.7.0
- conda-forge::pdbfixer - conda-forge::pdbfixer
- bioconda::hmmer==3.3.2 - bioconda::hmmer==3.3.2
- bioconda::hhsuite==3.3.0 - bioconda::hhsuite==3.3.0
......
scripts/install_third_party_dependencies.sh
View file @ 4fde713c
#!/bin/bash #!/bin/bash
# Install DeepMind's OpenMM patch
OPENFOLD_DIR=$PWD
pushd $CONDA_DEFAULT_ENV/lib/python3.9/site-packages/ \
&& patch -p0 < $OPENFOLD_DIR/lib/openmm.patch \
&& popd
# Download folding resources # Download folding resources
wget --no-check-certificate -P openfold/resources \ wget -N --no-check-certificate -P openfold/resources \
https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt
# Certain tests need access to this file # Certain tests need access to this file
......
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