initial update of Dockerfile

doc/index.rst

@@ -8,13 +8,16 @@ Welcome to the Documentation for FastSpecFit
 Overview
 --------
 
-``FastSpecFit`` is a stellar continuum and emission-line modeling code for `DESI
-<https://desi.lbl.gov>`_ which is optimized for speed and simplicity; it uses
-physically motivated stellar population synthesis and emission-line templates to
-jointly model the three-camera optical spectrophotometry from DESI and the
-ultraviolet through infrared broadband photometry (``fastspec``). Alternatively,
-it can be used to model just the broadband photometry (``fastphot``), although
-in either case DESI redshifts are required.
+``FastSpecFit`` is a stellar continuum and emission-line modeling code which is
+optimized for speed and simplicity; it uses physically motivated stellar
+population synthesis and emission-line templates to jointly model UV/optical
+spectrophotometry and ultraviolet through infrared broadband photometry
+(``fastspec``). Alternatively, it can be used to model just the broadband
+photometry (``fastphot``).
+
+``FastSpecFit`` currently only supports `DESI <https://desi.lbl.gov>`_
+spectrophotometric data, although contributions to develop the software for
+other instruments and surveys are more than welcome.
 
 Contents
 --------

docker/Dockerfile

@@ -1,9 +1,9 @@
-FROM ubuntu:22.04
+FROM ubuntu:24.04.1
 
 RUN mkdir -p /src
 WORKDIR /src
 
-RUN apt-get -y clean && apt -y update && apt install -y apt-utils && apt -y upgrade && echo 2
+RUN apt-get -y clean && apt -y update && apt install -y apt-utils && apt -y upgrade && echo 1
 
 RUN DEBIAN_FRONTEND=noninteractive \
     apt install -y --no-install-recommends \
@@ -19,7 +19,7 @@ RUN DEBIAN_FRONTEND=noninteractive \
     libcfitsio-bin \
     # libhdf5 needed by h5py
     libhdf5-dev \
-    # mpich \
+    # needed by mpich \
     python3-dev \
     python3-pip \
     # python3-mpi4py \
@@ -56,6 +56,7 @@ RUN for x in \
     healpy \
     fitsio \
     numba \
+    intel-cmplr-lib-rt \
     mpi4py \
     seaborn \
     matplotlib \
@@ -64,21 +65,21 @@ RUN for x in \
     h5py \
     ; do pip3 install $x; done \
     && rm -Rf /root/.cache/pip \
-    && echo 2
+    && echo 1
 
-ENV DESIUTIL_VERSION 3.2.6
-ENV DESIMODEL_VERSION 0.18.0
-ENV DESITARGET_VERSION 2.6.0
-ENV DESISPEC_VERSION 0.57.0
-ENV SPECLITE_VERSION v0.16
-ENV FASTSPECFIT_VERSION 2.1.1
+ENV DESIUTIL_VERSION 3.4.3
+ENV DESIMODEL_VERSION 0.19.2
+ENV DESITARGET_VERSION 2.8.0
+ENV DESISPEC_VERSION 0.68.1
+ENV SPECLITE_VERSION v0.20
+ENV FASTSPECFIT_VERSION main
 
 RUN pip3 install git+https://github.com/desihub/desiutil.git@${DESIUTIL_VERSION}#egg=desiutil
 RUN pip3 install git+https://github.com/desihub/desimodel.git@${DESIMODEL_VERSION}#egg=desimodel
 RUN pip3 install git+https://github.com/desihub/desitarget.git@${DESITARGET_VERSION}#egg=desitarget
 RUN pip3 install git+https://github.com/desihub/desispec.git@${DESISPEC_VERSION}#egg=desispec
 RUN pip3 install git+https://github.com/desihub/speclite.git@${SPECLITE_VERSION}#egg=speclite
-RUN pip3 install git+https://github.com/desihub/fastspecfit.git@${FASTSPECFIT_VERSION}#egg=fastspecfit && echo 1.1
+RUN pip3 install git+https://github.com/desihub/fastspecfit.git@${FASTSPECFIT_VERSION}#egg=fastspecfit && echo 1
 
 ENV PYTHONPATH /src/fastspecfit/py
 ENV PATH /src/fastspecfit/bin:/opt/conda/bin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
@@ -96,15 +97,15 @@ RUN echo "export PS1='[container] \\u@\\h:\\w$ '" >> $HOME/.bashrc \
   && python -c "import astropy" \
   && python -c "import matplotlib.font_manager as fm; f = fm.FontManager()" \
   && ipython -c "print('hello')" \
-  # Download astropy site locations and USNO sky model
-  && python -c "from astropy.coordinates import EarthLocation; EarthLocation._get_site_registry(force_download=True)" \
-  && python -c "from astropy.coordinates import EarthLocation, SkyCoord, AltAz; from astropy.time import Time; print(EarthLocation.of_site('ctio')); print(SkyCoord(180.,-45.,unit='deg').transform_to(AltAz(obstime=Time(56806.0, format='mjd'), location=EarthLocation.of_site('ctio'))))" \
-  # Download astropy IERS leap-second list
-  && python -c "from astropy.time import Time; Time.now()" \
-  # Make astropy cache files readable!?!!
-  && chmod -R a+rwX $HOME/.astropy \
-  # Make ipython config files readable!?!!
-  && chmod -R a+rwX $HOME/.ipython \
-  && echo 2
+  ## Download astropy site locations and USNO sky model
+  #&& python -c "from astropy.coordinates import EarthLocation; EarthLocation._get_site_registry(force_download=True)" \
+  #&& python -c "from astropy.coordinates import EarthLocation, SkyCoord, AltAz; from astropy.time import Time; print(EarthLocation.of_site('ctio')); print(SkyCoord(180.,-45.,unit='deg').transform_to(AltAz(obstime=Time(56806.0, format='mjd'), location=EarthLocation.of_site('ctio'))))" \
+  ## Download astropy IERS leap-second list
+  #&& python -c "from astropy.time import Time; Time.now()" \
+  ## Make astropy cache files readable!?!!
+  #&& chmod -R a+rwX $HOME/.astropy \
+  ## Make ipython config files readable!?!!
+  #&& chmod -R a+rwX $HOME/.ipython \
+  && echo 1
 
 LABEL Maintainer="John Moustakas [email protected]"

docker/README.md

@@ -3,18 +3,21 @@ Build a Docker container for fastspecfit.
 
 Build a cross-platform docker container as documented [here](https://www.docker.com/blog/faster-multi-platform-builds-dockerfile-cross-compilation-guide), [here](https://blog.jaimyn.dev/how-to-build-multi-architecture-docker-images-on-an-m1-mac/), and [here](https://docs.nersc.gov/development/shifter/how-to-use/).
 
-First (but just once), create the builder instance:
+The very first time, create a builder instance with
 ```
-docker buildx create --name mybuilder --use
+docker buildx create --name FastSpecFit-build --node FastSpecFit --use
+```
+and then subsequently simply load that instance with
+```
+docker buildx use FastSpecFit-build
 ```
 
-Then, subsequently, to create a new (or the latest) version or tag:
+Then, subsequently, to create a new (or the latest) version or tag, do:
 ```
 export DOCKER_BUILDKIT=0
 export COMPOSE_DOCKER_CLI_BUILD=0
 
-docker buildx use mybuilder
-docker buildx build --platform linux/amd64,linux/arm64/v8 --push -t desihub/fastspecfit:2.1.1 .
+docker buildx build --platform linux/amd64,linux/arm64/v8 --push -t desihub/fastspecfit:3.1.2 .
 docker buildx build --platform linux/amd64,linux/arm64/v8 --push -t desihub/fastspecfit:latest .
 ```
 
@@ -25,8 +28,8 @@ docker run -it desihub/fastspecfit:latest
 ```
 or
 ```
-docker pull desihub/fastspecfit:2.1.1
-docker run -it desihub/fastspecfit:2.1.1
+docker pull desihub/fastspecfit:3.1.2
+docker run -it desihub/fastspecfit:3.1.2
 ```
 
 Or at NERSC: