diff --git a/.gitignore b/.gitignore index a7526a3b5ed6024d24ef92c485a8378ed1c10931..68270cce66c71eb6752e8e771bea2093d0f6d9b1 100644 --- a/.gitignore +++ b/.gitignore @@ -1,3 +1,4 @@ + # mongodb instance folder db/ @@ -5,6 +6,9 @@ db/ tutorials/flow_sic_relax tutorials/launcher_*/ +# VSCode IDE +.vscode + # https://github.com/github/gitignore/blob/master/Global/macOS.gitignore # General .DS_Store diff --git a/.gitmodules b/.gitmodules new file mode 100644 index 0000000000000000000000000000000000000000..cbde51d1a559316861c6e7b5895ac4eda5d6468f --- /dev/null +++ b/.gitmodules @@ -0,0 +1,6 @@ +[submodule "jupyter-fireworks-proxy"] + path = jupyter-fireworks-proxy + url = https://github.com/fekad/jupyter-fireworks-proxy.git +[submodule "fireworks"] + path = fireworks + url = https://github.com/fekad/fireworks.git diff --git a/Dockerfile b/Dockerfile index 2704ed0d99c0e1021ef844fd63aaa0e9a1808a07..c93e8eb86f75f2ad403a1e20bd4d199ad1c737eb 100644 --- a/Dockerfile +++ b/Dockerfile @@ -102,6 +102,21 @@ RUN mkdir -p /run/munge \ && chown -R jovyan /var/run/slurm-llnl /var/lib/slurm-llnl /var/log/slurm-llnl USER $NB_UID + +COPY --chown=$NB_UID:$NB_GID fireworks /opt/fireworks +WORKDIR /opt/fireworks +RUN pip install -e . + +COPY --chown=$NB_UID:$NB_GID jupyter-fireworks-proxy /opt/jupyter-fireworks-proxy +WORKDIR /opt/jupyter-fireworks-proxy +RUN pip install -e . + +# RUN pip install git+https://github.com/fekad/jupyter-fireworks-proxy.git \ +# && jupyter serverextension enable --sys-prefix jupyter_server_proxy + WORKDIR $HOME COPY --chown=$NB_UID:$NB_GID tutorials tutorials +COPY --chown=$NB_UID:$NB_GID configs/my_launchpad.yaml .fireworks/ +COPY --chown=$NB_UID:$NB_GID configs/manager.yml configs/scheduler.yml .abinit/abipy/ + diff --git a/tutorials/manager.yml b/configs/manager.yml similarity index 100% rename from tutorials/manager.yml rename to configs/manager.yml diff --git a/tutorials/my_launchpad.yaml b/configs/my_launchpad.yaml similarity index 100% rename from tutorials/my_launchpad.yaml rename to configs/my_launchpad.yaml diff --git a/tutorials/scheduler.yml b/configs/scheduler.yml similarity index 100% rename from tutorials/scheduler.yml rename to configs/scheduler.yml diff --git a/docker-compose.yml b/docker-compose.yml index 08a42f1da540c9ba4d002b24187fc6b710bfa687..f34ccdd8422745c362549a4594771340afc7dd93 100644 --- a/docker-compose.yml +++ b/docker-compose.yml @@ -9,6 +9,7 @@ services: environment: # - NB_UID=1001 - GRANT_SUDO=yes + - OMPI_MCA_btl_vader_single_copy_mechanism=none ports: - 8888:8888 - 5000:5000 diff --git a/fireworks b/fireworks new file mode 160000 index 0000000000000000000000000000000000000000..bfe49749c028292bd4bb63126dfaa34c63ea92ff --- /dev/null +++ b/fireworks @@ -0,0 +1 @@ +Subproject commit bfe49749c028292bd4bb63126dfaa34c63ea92ff diff --git a/jupyter-fireworks-proxy b/jupyter-fireworks-proxy new file mode 160000 index 0000000000000000000000000000000000000000..095499365e9bc35b1f681f774dfbcf6dc2d23001 --- /dev/null +++ b/jupyter-fireworks-proxy @@ -0,0 +1 @@ +Subproject commit 095499365e9bc35b1f681f774dfbcf6dc2d23001