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This is the diff patch of Dockerfile of aiidalab depoly in China domestic
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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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