Commit c3fa8333 authored by Adam Fekete's avatar Adam Fekete
Browse files

typo

parent 6d75e26f
......@@ -3,8 +3,8 @@
FROM jupyter/scipy-notebook AS builder
# Abinit installation
# ===================
# Abinit compilation
# ==================
# # 1. compiler: gfortran
# # 2. MPI libraries - choice for Open MPI: mpi-default-dev libopenmpi-dev
# # 3. math libraries - choice for lapack and blas: liblapack-dev libblas-dev
......@@ -40,9 +40,9 @@ LABEL maintainer="Gian-Marco Rignanese <gian-marco.rignanese@uclouvain.be>"
# Abinit installation
# ===================
# # 1. MPI libraries - choice for Open MPI: mpi-default libopenmpi
# # 2. math libraries - choice for lapack and blas: liblapack libblas
# # 3. mandatory libraries: libhdf5 libnetcdf libnetcdff libpnetcdf libxc libfftw3 libxml2
# # 1. MPI libraries - choice for Open MPI: mpi-default-bin openmpi-bin libopenmpi3
# # 2. math libraries - choice for lapack and blas: liblapack3 libblas3
# # 3. mandatory libraries: libhdf5-103 libnetcdf15 libnetcdff7 libpnetcdf0d libxc5 libfftw3-bin libxml2
USER root
......@@ -63,7 +63,8 @@ ENV PATH=/opt/abinit/bin:$PATH
# Install Python 3 packages
# =========================
# fireworks's depenecies: flask-paginate gunicorn pymongo
# pseudo_dojo's depenecies:
# pseudo_dojo's depenecies: periodic-table-plotter atomicfile
RUN conda install --quiet --yes \
'abipy' \
'jupyter-server-proxy' \
......@@ -75,6 +76,8 @@ RUN conda install --quiet --yes \
&& fix-permissions "/home/${NB_USER}"
# Pseudo-dojo
# ===========
COPY --chown=$NB_UID:$NB_GID pseudo_dojo /opt/pseudo_dojo
WORKDIR /opt/pseudo_dojo
RUN pip install -e .
......
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