From 854cc0b53af56776fa967dd7793525eb0e22e051 Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Tue, 22 Sep 2020 17:24:30 +0530
Subject: added docker compose functionality for quick testing

---
 Dockerfile | 47 +++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 47 insertions(+)
 create mode 100644 Dockerfile

(limited to 'Dockerfile')

diff --git a/Dockerfile b/Dockerfile
new file mode 100644
index 0000000..6e793c2
--- /dev/null
+++ b/Dockerfile
@@ -0,0 +1,47 @@
+FROM ubuntu:20.04 AS builder
+
+LABEL maintainer="Navan Chauhan <navanchauhan@gmail.com>" \
+        org.label-schema.name="Curie Module" \
+        org.label-schema.description="https://navanchauhan.github.io/Curie"
+
+ENV DEBIAN_FRONTEND noninteractive
+RUN apt-get update && apt-get install -y \
+    git \
+    libopenbabel-dev \
+    libopenbabel6 \
+    pymol \
+    python3-distutils \
+    python3-lxml \
+    python3-openbabel \
+    python3-pymol \
+    python3-pip \
+    openbabel \
+    autodock-vina \
+    pandoc \
+    texlive-xetex \
+    imagemagick \
+    python3-rdkit \
+    libmysqlclient-dev \
+    mysql-client \
+    && apt-get clean && rm -rf /var/lib/apt/lists/*
+
+EXPOSE 8080
+
+WORKDIR /curie-web
+
+COPY requirements.txt /curie-web
+RUN python3 -m pip install -r requirements.txt
+
+# Install PLIP
+RUN git clone https://github.com/navanchauhan/plip source \
+    && cd source \
+    && python3 setup.py install \
+    && cd .. \
+    && rm -r source
+
+COPY config.ini /curie-web
+COPY app /curie-web/app
+
+COPY run.py /curie-web
+COPY api.py /curie-web
+CMD gunicorn -w 4 api:app -k uvicorn.workers.UvicornWorker -b "0.0.0.0:8080"
-- 
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