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preferentially use commands in colabfold-conda/bin
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YoshitakaMo committed Dec 11, 2021
1 parent 3f6ff6b commit 7eed49b
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Showing 3 changed files with 6 additions and 3 deletions.
3 changes: 2 additions & 1 deletion install_colabbatch_M1mac.sh
Original file line number Diff line number Diff line change
Expand Up @@ -46,6 +46,7 @@ wget -qnc https://raw.githubusercontent.com/deepmind/alphafold/main/docker/openm
rm openmm.patch
# Download the updater
wget -qnc https://raw.githubusercontent.com/YoshitakaMo/localcolabfold/main/update_M1mac.sh --no-check-certificate
chmod +x update_M1mac.sh
# install ColabFold and Jaxlib
colabfold-conda/bin/python3.8 -m pip install tensorflow-macos
colabfold-conda/bin/python3.8 -m pip install git+git://github.com/deepmind/tree.git
Expand All @@ -64,7 +65,7 @@ cd $COLABFOLDDIR/bin
cat << EOF > colabfold_batch
#!/bin/sh
export COLABFOLDDIR=$COLABFOLDDIR
export PATH="\$PATH:\${COLABFOLDDIR}/colabfold-conda/bin"
export PATH="\${COLABFOLDDIR}/colabfold-conda/bin:\$PATH"
\$COLABFOLDDIR/colabfold-conda/bin/colabfold_batch --cpu \$@
EOF
chmod +x colabfold_batch
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3 changes: 2 additions & 1 deletion install_colabbatch_intelmac.sh
Original file line number Diff line number Diff line change
Expand Up @@ -45,6 +45,7 @@ wget -qnc https://raw.githubusercontent.com/deepmind/alphafold/main/docker/openm
rm openmm.patch
# Download the updater
wget -qnc https://raw.githubusercontent.com/YoshitakaMo/localcolabfold/main/update_intelmac.sh --no-check-certificate
chmod +x update_intelmac.sh
# install ColabFold and Jaxlib
colabfold-conda/bin/python3.7 -m pip install "colabfold[alphafold] @ git+https://github.com/sokrypton/ColabFold"
colabfold-conda/bin/python3.7 -m pip install https://storage.googleapis.com/jax-releases/mac/jaxlib-0.1.74-cp37-none-macosx_10_9_x86_64.whl
Expand All @@ -56,7 +57,7 @@ cd $COLABFOLDDIR/bin
cat << EOF > colabfold_batch
#!/bin/sh
export COLABFOLDDIR=$COLABFOLDDIR
export PATH="\$PATH:\${COLABFOLDDIR}/colabfold-conda/bin"
export PATH="\${COLABFOLDDIR}/colabfold-conda/bin:\$PATH"
\$COLABFOLDDIR/colabfold-conda/bin/colabfold_batch --cpu \$@
EOF
chmod +x colabfold_batch
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3 changes: 2 additions & 1 deletion install_colabbatch_linux.sh
Original file line number Diff line number Diff line change
Expand Up @@ -24,6 +24,7 @@ wget -qnc https://raw.githubusercontent.com/deepmind/alphafold/main/docker/openm
rm openmm.patch
# Download the updater
wget -qnc https://raw.githubusercontent.com/YoshitakaMo/localcolabfold/main/update_linux.sh --no-check-certificate
chmod +x update_linux.sh
# install alignment tools
conda install -c conda-forge -c bioconda kalign3=3.2.2 hhsuite=3.3.0 -y
# install ColabFold and Jaxlib
Expand All @@ -40,7 +41,7 @@ export TF_FORCE_UNIFIED_MEMORY="1"
export XLA_PYTHON_CLIENT_MEM_FRACTION="4.0"
export COLABFOLDDIR=$COLABFOLDDIR
export XDG_CACHE_HOME="\${COLABFOLDDIR}"
export PATH="\$PATH:\${COLABFOLDDIR}/colabfold-conda/bin"
export PATH="\${COLABFOLDDIR}/colabfold-conda/bin:\$PATH"
\$COLABFOLDDIR/colabfold-conda/bin/colabfold_batch \$@
EOF
chmod +x colabfold_batch
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