From c3fa833378a0c1baececf7e5e341fd8e8f4df503 Mon Sep 17 00:00:00 2001
From: Adam Fekete <adam.fekete@kcl.ac.uk>
Date: Mon, 29 Mar 2021 00:23:57 +0200
Subject: [PATCH] typo
---
Dockerfile | 15 +++++++++------
1 file changed, 9 insertions(+), 6 deletions(-)
diff --git a/Dockerfile b/Dockerfile
index e6e7e40..ea1be71 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -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 .
--
GitLab