diff --git a/docker/Dockerfile b/docker/Dockerfile index 7322091..721c297 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -31,6 +31,8 @@ micromamba create -n ${MAMBA_ENV_NAME} python=${PYTHON_VERSION} -y echo "mamba activate ${MAMBA_ENV_NAME}" >> /home/mambauser/.bashrc git clone https://github.com/hotwa/SIME cd /app/SIME +mkdir -p /app/SIME/LIBRARIES +mkdir -p /app/SIME/uploads micromamba run -n ${MAMBA_ENV_NAME} pip install -r requirements.txt micromamba run -n ${MAMBA_ENV_NAME} pip install ipython rdkit EOT diff --git a/docker/docker-compose.yml b/docker/docker-compose.yml index 0830eb8..266c154 100644 --- a/docker/docker-compose.yml +++ b/docker/docker-compose.yml @@ -10,11 +10,12 @@ services: # HTTP_PROXY: http://127.0.0.1:10809 image: hotwa/sime:latest container_name: smi_mol - volumes: - - ../LIBRARIES:/app/SIME/LIBRARIES - # profiles: - # - production - # - testing + # volumes: + # - ../LIBRARIES:/app/SIME/LIBRARIES:rw + # user: "57439:57439" + profiles: + - production + - testing ports: - 5000:5000 command: > @@ -22,4 +23,6 @@ services: # docker-compose --profile production up -d # docker-compose --profile production -f docker-compose.yml build -# docker-compose --profile production -f docker-compose.yml up -d \ No newline at end of file +# docker-compose --profile production -f docker-compose.yml up -d +# docker cp smi_mol:/app/SIME/LIBRARIES/ ../LIBRARIES +# docker cp smi_mol:/app/SIME/LIBRARIES/2024-12-24-02-19-29_mcrl_info ../LIBRARIES \ No newline at end of file