From 7eed49bb4cd8b290ef9cfe1e543707f64907774e Mon Sep 17 00:00:00 2001 From: YoshitakaMo Date: Sat, 11 Dec 2021 10:58:25 +0900 Subject: [PATCH] preferentially use commands in colabfold-conda/bin --- install_colabbatch_M1mac.sh | 3 ++- install_colabbatch_intelmac.sh | 3 ++- install_colabbatch_linux.sh | 3 ++- 3 files changed, 6 insertions(+), 3 deletions(-) diff --git a/install_colabbatch_M1mac.sh b/install_colabbatch_M1mac.sh index 651ce4a..4592f03 100755 --- a/install_colabbatch_M1mac.sh +++ b/install_colabbatch_M1mac.sh @@ -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 @@ -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 diff --git a/install_colabbatch_intelmac.sh b/install_colabbatch_intelmac.sh index 339e516..72c1e4d 100755 --- a/install_colabbatch_intelmac.sh +++ b/install_colabbatch_intelmac.sh @@ -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 @@ -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 diff --git a/install_colabbatch_linux.sh b/install_colabbatch_linux.sh index b9498cb..cc18def 100755 --- a/install_colabbatch_linux.sh +++ b/install_colabbatch_linux.sh @@ -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 @@ -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