Skip to content
Snippets Groups Projects
Commit 7518a09d authored by Luigi Sbailo's avatar Luigi Sbailo
Browse files

sisso++ is installed

parent 39c64b96
No related branches found
No related tags found
1 merge request!123testing develop merge
...@@ -22,7 +22,12 @@ RUN apt-get update \ ...@@ -22,7 +22,12 @@ RUN apt-get update \
openjdk-8-jdk \ openjdk-8-jdk \
xvfb \ xvfb \
cmake \ cmake \
mpi \
openmpi-bin \
openmpi-common \
openssh-server \
openssh-client \
libopenmpi-dev \
&& apt-get clean \ && apt-get clean \
&& rm -rf /var/lib/apt/lists/* && rm -rf /var/lib/apt/lists/*
USER $NB_UID USER $NB_UID
...@@ -51,6 +56,8 @@ RUN conda install --quiet --yes \ ...@@ -51,6 +56,8 @@ RUN conda install --quiet --yes \
'asap3' \ 'asap3' \
'dscribe' \ 'dscribe' \
'pytest' \ 'pytest' \
'mpi4py' \
&& conda install -c plotly plotly-orca \
&& conda clean -tipsy \ && conda clean -tipsy \
&& pip install nomad-lab \ && pip install nomad-lab \
&& jupyter nbextensions_configurator enable --user \ && jupyter nbextensions_configurator enable --user \
...@@ -140,9 +147,10 @@ RUN pip install . ...@@ -140,9 +147,10 @@ RUN pip install .
WORKDIR /opt/cpp_sisso WORKDIR /opt/cpp_sisso
COPY 3rdparty/cpp_sisso . COPY 3rdparty/cpp_sisso .
WORKDIR /opt/cpp_sisso/src WORKDIR /opt/cpp_sisso/build
USER root USER root
RUN cmake -C ../cmake/toolchains/gnu_py.cmake -DEXTERNAL_BOOST=OFF ../ \
&& make install
# ================================================================================ # ================================================================================
# Install all of the package dependencies of the tutorials # Install all of the package dependencies of the tutorials
...@@ -151,8 +159,7 @@ USER root ...@@ -151,8 +159,7 @@ USER root
WORKDIR /opt/tutorials WORKDIR /opt/tutorials
COPY tutorials/ . COPY tutorials/ .
RUN pip install ./analytics-compressed-sensing \ RUN pip install ./analytics-compressed-sensing
&& conda install -c plotly plotly-orca
RUN pip install ./analytics-convolutional-nn \ RUN pip install ./analytics-convolutional-nn \
&& pip install 'git+https://github.com/raghakot/keras-vis.git' && pip install 'git+https://github.com/raghakot/keras-vis.git'
RUN pip install ./analytics-gap-si-surface RUN pip install ./analytics-gap-si-surface
...@@ -170,6 +177,7 @@ RUN pip install ./analytics-krr4mat ...@@ -170,6 +177,7 @@ RUN pip install ./analytics-krr4mat
RUN pip install ./analytics-co2-sgd RUN pip install ./analytics-co2-sgd
USER root USER root
RUN fix-permissions /opt/tutorials \ RUN fix-permissions /opt/tutorials \
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment