Fuse cuda 10.1 and Ubuntu 20.04 images together

.github/workflows/build.yml

@@ -11,7 +11,7 @@ jobs:
       matrix:
         image: ['centos', 'clang', 'debian', 'fedora', 'opensuse', 'rocm',
                 'ubuntu-18.04', 'ubuntu-20.04',
-                'ubuntu-cuda-10.1', 'ubuntu-cuda-9.0',
+                'ubuntu-cuda-9.0',
                 'ubuntu-wo-dependencies']
     steps:
     - uses: actions/checkout@master

docker/Dockerfile-ubuntu-20.04

 FROM ubuntu:focal
 ENV DEBIAN_FRONTEND noninteractive
-COPY build-and-install-scafacos.sh /tmp/
+COPY build-and-install-scafacos.sh /tmp
 COPY ubuntu-packages.txt /tmp
 RUN apt-get update && xargs -a /tmp/ubuntu-packages.txt apt-get install -y \
     && apt-get install -y \
     clang-9 clang-tidy-9 clang-format-9 \
+    doxygen \
+    ffmpeg \
     gcc-8 g++-8 \
     gcc-9 g++-9 \
+    graphviz \
+    ipython3 jupyter-notebook jupyter-nbconvert \
     libthrust-dev \
     nvidia-cuda-toolkit \
+    python3-lxml python3-matplotlib \
+    texlive-base \
     && apt-get clean && rm -rf /var/lib/apt/lists/*
+
 RUN bash /tmp/build-and-install-scafacos.sh
 
 ENV NVIDIA_VISIBLE_DEVICES all
@@ -26,5 +33,9 @@ RUN pip3 install --user \
   astroid==2.1.0 \
   isort==4.3.4 \
   cmake-format==0.6.9 \
-  pre-commit
+  pre-commit \
+  'sphinx>=2.0,!=2.1.0,!=3.0.0' \
+  sphinxcontrib-bibtex \
+  'MDAnalysis>=0.18' \
+  'pint>=0.9'
 WORKDIR /home/espresso

docker/Dockerfile-ubuntu-cuda-10.1

-FROM nvidia/cuda:10.1-devel-ubuntu18.04
-ENV DEBIAN_FRONTEND noninteractive
-COPY build-and-install-scafacos.sh /tmp/
-COPY ubuntu-packages.txt /tmp
-RUN apt-get update && xargs -a /tmp/ubuntu-packages.txt apt-get install -y \
-    && apt-get install -y \
-    doxygen \
-    ffmpeg \
-    graphviz \
-    ipython3 jupyter-notebook jupyter-nbconvert \
-    python3-lxml python3-matplotlib \
-    texlive-base \
-    && apt-get install -y --no-install-recommends software-properties-common \
-    && apt-get clean && rm -rf /var/lib/apt/lists/*
-
-# install ScaFaCoS
-RUN bash /tmp/build-and-install-scafacos.sh
-RUN useradd -m espresso
-USER espresso
-
-# install Python3 packages locally
-RUN pip3 install --user --upgrade 'sphinx>=2.0,!=2.1.0,!=3.0.0' sphinxcontrib-bibtex 'MDAnalysis==0.16' 'pint>=0.9'
-ENV PATH="/home/espresso/.local/bin:${PATH}"
-
-WORKDIR /home/espresso