Updated cloud image

cyllab · Apr 18, 2024 · 2e791f4 · 2e791f4
1 parent 7318d4b
commit 2e791f4
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Showing 4 changed files with 11 additions and 7 deletions.
diff --git a/Cloud_dockerfile b/Cloud_dockerfile
@@ -4,6 +4,11 @@ COPY bin /binaries/xtb
 COPY scripts /calcus/scripts
 RUN python /calcus/scripts/extract_xtb.py
 
+RUN apt update && apt install build-essential gcc libxm4 libgl1 libmagic1 -y
+
+ADD ./cloud_requirements.txt /calcus/cloud_requirements.txt
+RUN pip install -r /calcus/cloud_requirements.txt
+
 FROM python:3.9-slim-bookworm AS calcus_user
 
 COPY --from=0 /binaries/ /binaries/
@@ -14,10 +19,9 @@ ENV CALCUS_VERSION_HASH=${CALCUS_VERSION_HASH}
 ENV PYTHONUNBUFFERED 1
 ENV CALCUS_CLOUD True
 
-RUN apt update && apt install openbabel postgresql-client dos2unix nwchem libxm4 libgl1 libmagic1 -y
+COPY --from=0 /usr/local/lib/python3.9/site-packages /usr/local/lib/python3.9/site-packages
 
-ADD ./cloud_requirements.txt /calcus/cloud_requirements.txt
-RUN pip install -r /calcus/cloud_requirements.txt
+RUN apt update && apt install openbabel postgresql-client dos2unix nwchem libxm4 libgl1 libmagic1 -y
 
 COPY calcus /calcus/calcus
 COPY frontend /calcus/frontend
@@ -35,4 +39,4 @@ ENV PATH=$PATH:$XTB4STDAHOME/xtb/bin:$XTB4STDAHOME
 
 RUN adduser --disabled-password --gecos '' calcus  
 
-CMD exec gunicorn calcus.wsgi:application --bind :$PORT --timeout 10 --workers $NUM_WORKERS --threads $NUM_THREADS --timeout $GUNICORN_TIMEOUT
+CMD exec python -m gunicorn calcus.wsgi:application --bind :$PORT --timeout 10 --workers $NUM_WORKERS --threads $NUM_THREADS --timeout $GUNICORN_TIMEOUT
diff --git a/cloud_requirements.txt b/cloud_requirements.txt
@@ -21,7 +21,7 @@ nmrglue==0.8
 numpy
 periodictable
 psutil==5.7.2
-psycopg2
+psycopg2-binary
 pysisyphus
 python-magic
 rdkit

diff --git a/requirements.txt b/requirements.txt
@@ -22,7 +22,7 @@ paramiko==3.4.0
 periodictable
 pre-commit
 psutil==5.7.2
-psycopg2
+psycopg2-binary
 pysisyphus
 python-magic
 rdkit

diff --git a/scripts/run_web.sh b/scripts/run_web.sh
@@ -4,4 +4,4 @@ python scripts/wait_for_postgres.py
 ./scripts/migrate.sh
 python manage.py check_su
 
-gunicorn calcus.wsgi:application --bind 0.0.0.0:8000 --access-logfile=- --error-logfile=- --reload --timeout $GUNICORN_TIMEOUT --keep-alive $GUNICORN_TIMEOUT
+python -m gunicorn calcus.wsgi:application --bind 0.0.0.0:8000 --access-logfile=- --error-logfile=- --reload --timeout $GUNICORN_TIMEOUT --keep-alive $GUNICORN_TIMEOUT