update dockerfile and docker actions version in ci.yml

.github/workflows/CI.yaml

@@ -66,7 +66,7 @@ jobs:
         uses: mamba-org/setup-micromamba@v1
         with:
           environment-file: environment-dev.yml
-          python-version: python="3.10"
+          create-args: python="3.10"
 
       - name: Clone mBuild and Foyer and forcefield-utilities
         run: |
@@ -95,14 +95,14 @@ jobs:
     runs-on: ubuntu-latest
     needs: test
     name: Build Docker Image
-    if: ${{ false }}
+    if: github.event_name != 'pull_request'
 
     steps:
       - name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v3
 
       - name: Login to DockerHub
-        uses: docker/login-action@v1
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_PASSWORD }}
@@ -122,7 +122,7 @@ jobs:
           echo Docker Image tags: ${DOCKER_TAGS}
 
       - name: Build and Push
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: ${{ env.DOCKER_TAGS }}

Dockerfile

@@ -1,4 +1,5 @@
-FROM mambaorg/micromamba:1.4.3
+ARG PY_VERSION=3.10
+FROM continuumio/miniconda3:4.10.3-alpine AS builder
 
 EXPOSE 8888
 
@@ -13,17 +14,34 @@ ADD . /gmso
 
 WORKDIR /gmso
 
-RUN apt-get update && apt-get install -y git
+# Create a group and user
+RUN addgroup -S anaconda && adduser -S anaconda -G anaconda
+
+RUN apk update && apk add libarchive &&\
+  conda update conda -yq && \
+  conda config --set always_yes yes --set changeps1 no && \
+  . /opt/conda/etc/profile.d/conda.sh && \
+  sed -i -E "s/python.*$/python="$(PY_VERSION)"/" environment-dev.yml && \
+  conda install -c conda-forge mamba && \
+  mamba env create --file environment-dev.yml && \
+  conda activate gmso-dev && \
+  mamba install -c conda-forge jupyter python="$PY_VERSION" && \
+  python setup.py install && \
+  echo "source activate gmso-dev" >> \
+  /home/anaconda/.profile && \
+  conda clean -afy && \
+  mkdir -p /home/anaconda/data && \
+  chown -R anaconda:anaconda /gmso && \
+  chown -R anaconda:anaconda /opt && \
+  chown -R anaconda:anaconda /home/anaconda
 
-RUN micromamba create --file environment-dev.yml && \
-  micromamba clean -afy
-ARG MAMBA_DOCKERFILE_ACTIVATE=1  # (otherwise python will not be found)
+WORKDIR /home/anaconda
 
-RUN  micromamba install -c conda-forge nomkl jupyter python="3.10" && \
-  python setup.py install && \
-  echo "source activate gmso-dev" >> /home/.bashrc && \
-  mkdir -p /home/data
+COPY devtools/docker-entrypoint.sh /entrypoint.sh
+
+RUN chmod a+x /entrypoint.sh
 
+USER anaconda
 
 ENTRYPOINT ["/entrypoint.sh"]
 CMD ["jupyter"]