Changes

Rémy Mozul · a62410e6
--- a/container.md
+++ b/container.md
 Important notice: in the following a generic name `lmgc90_user_xxxx` is used in the instruction, but each time the `xxxx` is met, it must be replaced by the real name of the version used. For example the `2020.rc1` or `2020`.
 # Singularity
 Here are provided some very basics directions on how to use LMGC90 in a Singularity container.  
 On how to install and use Singularity properly, check their [official website](https://apptainer.org/).
 For a direct use, download the image file:
-* [lmgc90_user_2024_rc1.sif](https://seafile.lmgc.univ-montp2.fr/f/0213f8323051431d8744/?dl=1)
+* [lmgc90_user_2024_rc1.sif](https://seafile.lmgc.univ-montp2.fr/f/0213f8323051431d8744/?dl=1) (m5sum e58a398352a64b41567e0aaf816863df)
 * [lmgc90_user_2023.sif](https://seafile.lmgc.univ-montp2.fr/f/577871f9c9344a7a8711/?dl=1)
 * [lmgc90_user_2023_rc2.sif](https://seafile.lmgc.univ-montp2.fr/f/ffa27bb6a3e04016a72b/?dl=1)
 * [lmgc90_user_2023_rc1.sif](https://seafile.lmgc.univ-montp2.fr/f/1c75255d95f5460c9dee/?dl=1)
 On a server or computer with singularity installed, you can directly use the
 singularity image to run a single command with:
 ```cmd
 cd path_to_example
 singularity run lmgc90_user_xxxx.sif python command.py
 ```
 It is preferred to stay in the same image ; for example in order to
 run several python commands:
 ```cmd
 singularity shell lmgc90_user_xxxx.sif
 python gen_sample.py --novisu && python command.py
 exit
 ```
 Beware, the `pylmgc90.pre.visuAvatars` function CANNOT work in this environment !!!
 In case it is desired to build image, the use the following content
 to create a `lmgc90.def` file (beware to beforehand adapt the path
 to the source directory of lmgc90 in the `files` section:
 ```file
 Bootstrap: docker
 From: ubuntu:jammy
 %files
    lmgc90_user_xxxx /root/lmgc90
 %environment
    export SHELL=/bin/bash
 %post
    # install packages
    export DEBIAN_FRONTEND=noninteractive
    apt update && apt -y upgrade
    apt install -y git cmake gcc g++ gfortran liblapack-dev swig python3-dev python3-numpy cython3 python-is-python3
    apt install -y python3-scipy python3-matplotlib python3-pandas python3-vtk9 python3-igraph 
    apt install -y libhdf5-dev hdf5-tools python3-h5py
    # build the sources
    cd /root/lmgc90/build
    cmake ../ -DWITH_HDF5=ON -DNO_INSTALL=FALSE
    make && make install
    # clean build and source directories
    rm -rf /root/lmgc90
 ```
 Then the image file can be created with:
 ```cmd
 singularity build --fakeroot lmgc90_user_xxxx.sif lmgc90.def
 ```
 # Docker
 Here are provided some very basics directions on how to use LMGC90 in a Docker container.  
 On how to install and use Docker properly, check their [official website](https://docs.docker.com/).
 To build an image, use the following content to create a `docker_lmgc90` file.
 ```file
 FROM ubuntu:jammy
 # install packages
 RUN apt update  -y
 RUN apt upgrade -y
 RUN DEBIAN_FRONTEND=noninteractive apt-get install -y tzdata
 RUN apt install -y git cmake gcc g++ gfortran liblapack-dev swig python3-dev python3-numpy cython3 python-is-python3
 RUN apt install -y python3-scipy python3-matplotlib python3-pandas python3-vtk9 python3-igraph
 RUN apt install -y libhdf5-dev hdf5-tools python3-h5py
 # get the sources
 COPY lmgc90_user_xxxx /root/lmgc90
 # build the sources
 WORKDIR /root/lmgc90/build
 RUN cmake ../ -DWITH_HDF5=ON -DNO_INSTALL=FALSE -DWITH_OPENMP=True
 RUN make && make install
 # clean build and source directories
 WORKDIR /root/compute
 RUN rm -rf /root/lmgc90
 ```
 Then build the docker image with (again replace the `xxxx` by your revision), do not forget the ending dot character:
 ```cmd
 docker build -t lmgc90_user:xxxx -f docker_lmgc90 .
 ```
 Then, next to a `example` directory containing a `gen_sample.py` (with
 NO `visuAvatars` command) and a `command.py`, a docker container
 can be run sharing the `example` directory and run a single command with:
 ```cmd
 docker run -it -v $PWD/example:/root/compute lmgc90_user:2022.rc1 python command.py
 ```
 To stay in the container for, let's say run python in interactive mode, or run 
 several commands, preferably use:
 ```cmd
 docker run -it -v $PWD/example:/root/compute lmgc90_user:xxxx /bin/bash
 python gen_sample.py --novisu
 python command.py
 exit
 ```
 When using docker, it is good practice to sometime clean the
 container leftovers with:
 ```cmd
 docker container prune
 ```
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