"git@developer.sourcefind.cn:OpenDAS/openpcdet.git" did not exist on "839d8dd93bf0354db2933673d5099deaa1aff408"
Commit 754d2ba8 authored by Gustaf Ahdritz's avatar Gustaf Ahdritz
Browse files

Add conda env scripts

parent 75c79b79
#!/bin/bash
source scripts/vars.sh
source lib/conda/etc/profile.d/conda.sh
conda activate $ENV_NAME
#!/bin/bash
conda deactivate
#!/bin/bash #!/bin/bash
source scripts/vars.sh
# Install Miniconda locally # Install Miniconda locally
rm -rf lib/conda rm -rf lib/conda
rm -f /tmp/Miniconda3-latest-Linux-x86_64.sh rm -f /tmp/Miniconda3-latest-Linux-x86_64.sh
...@@ -11,14 +13,17 @@ wget -q -P /tmp \ ...@@ -11,14 +13,17 @@ wget -q -P /tmp \
# Grab conda-only packages # Grab conda-only packages
PATH=lib/conda/bin:$PATH PATH=lib/conda/bin:$PATH
conda update -qy conda \ conda update -qy conda \
&& conda create --name $ENV_NAME -y python==3.9.5 \
&& source lib/conda/etc/profile.d/conda.sh \
&& conda activate $ENV_NAME \
&& pip install -r requirements.txt \
&& conda install -qy -c conda-forge \ && conda install -qy -c conda-forge \
python=3.9 \
openmm=7.5.1 \ openmm=7.5.1 \
pdbfixer pdbfixer
# Install DeepMind's OpenMM patch # Install DeepMind's OpenMM patch
OPENFOLD_DIR=$PWD OPENFOLD_DIR=$PWD
pushd lib/conda/lib/python3.9/site-packages/ \ pushd lib/conda/envs/$ENV_NAME/lib/python3.9/site-packages/ \
&& patch -p0 < $OPENFOLD_DIR/lib/openmm.patch \ && patch -p0 < $OPENFOLD_DIR/lib/openmm.patch \
&& popd && popd
......
#!/bin/bash
ENV_NAME=openfold_venv
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment