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@unkcpz
Last active August 20, 2020 09:49
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This is the diff patch of Dockerfile of aiidalab depoly in China domestic
diff --git a/Dockerfile b/Dockerfile
index 433c334..fcb1d09 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -38,12 +38,17 @@ RUN /usr/bin/pip3 install \
# TODO, remove when https://github.com/aiidateam/aiida-sssp/pull/25 is merged
# and installed on AiiDA lab
WORKDIR /opt/pseudos
-RUN base_url=http://legacy-archive.materialscloud.org/file/2018.0001/v3; \
-wget ${base_url}/SSSP_efficiency_pseudos.aiida; \
-wget ${base_url}/SSSP_precision_pseudos.aiida; \
-chown -R root:root /opt/pseudos/; \
+# RUN base_url=http://legacy-archive.materialscloud.org/file/2018.0001/v3; \
+# wget ${base_url}/SSSP_efficiency_pseudos.aiida; \
+# wget ${base_url}/SSSP_precision_pseudos.aiida; \
+COPY SSSP_efficiency_pseudos.aiida /opt/pseudos/
+COPY SSSP_precision_pseudos.aiida /opt/pseudos/
+RUN chown -R root:root /opt/pseudos/; \
chmod -R +r /opt/pseudos/
+# Setting pypi mirrors
+COPY pip.conf /etc/pip.conf
+
# Install jupyterlab theme (takes about 4 minutes and 10 seconds).
#WORKDIR /opt/jupyterlab-theme
#RUN git clone https://github.com/aiidalab/jupyterlab-theme && \
@@ -58,6 +63,9 @@ chmod -R +r /opt/pseudos/
# Install Python packages needed for AiiDA lab and populate reentry cache for root (https://pypi.python.org/pypi/reentr
y/).
RUN pip install 'aiidalab==v20.08.0b0'
#RUN python -m pip install git+https://github.com/aiidalab/aiidalab.git@fd6b0914dba28b96f117b0cd078740f2b92e4aa9
+RUN python -m pip install -U git+https://github.com/aiidateam/aiida-core.git@develop
+RUN python -m pip install -U git+https://github.com/unkcpz/aiidalab-widgets-base.git@feature/ssh-by-priv-key
+
RUN reentry scan
# Install python kernel from the conda environment (comes with the aiidalab package).
@@ -99,8 +107,10 @@ RUN git clone https://github.com/aiidalab/aiidalab-optimade.git && cd aiidalab-o
RUN pip install ./aiidalab-optimade
# Install some useful packages that are not available on PyPi
+COPY condarc /root/.condarc
+COPY openbabel-2.4.1-py37_6.tar.bz2 /root/openbabel-2.4.1-py37_6.tar.bz2
+RUN conda install --yes --offline /root/openbabel-2.4.1-py37_6.tar.bz2
RUN conda install --yes -c conda-forge rdkit
-RUN conda install --yes -c openbabel openbabel
RUN conda install --yes -c conda-forge dscribe "tornado<5"
# Prepare user's folders for AiiDA lab launch.
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