first "working" version

Dockerfile

+# This image creates a common scientific build environment that includes:
+# gfortran, hdf4, hdf5, netcdf4
+FROM nbearson/gfortran
+
+ENV ZLIB_VERSION 1.2.8
+ENV JPEG_VERSION 6b
+ENV SZIP_VERSION 2.1
+ENV HDF4_VERSION 4.2.12
+ENV HDF5_VERSION 1.8.17
+ENV NETCDF4_VERSION 4.4.1 
+
+# grab some packages we need
+RUN apt-get update && apt-get install -y byacc bison diffutils flex make
+
+# grab some convenience packages for using it as a build "machine"
+RUN apt-get install -y vim svn git
+
+# get ready to build things
+RUN mkdir -p /usr/man/man1
+RUN mkdir /build
+
+# perform downloads first so they get cached during development; does it make any difference afterwards?
+RUN cd /build && curl -O http://zlib.net/zlib-${ZLIB_VERSION}.tar.gz
+RUN cd /build && curl -O https://www.hdfgroup.org/ftp/lib-external/jpeg/src/jpegsrc.v${JPEG_VERSION}.tar.gz
+RUN cd /build && curl -O https://www.hdfgroup.org/ftp/lib-external/szip/${SZIP_VERSION}/src/szip-${SZIP_VERSION}.tar.gz
+RUN cd /build && curl -O http://www.hdfgroup.org/ftp/HDF/releases/HDF${HDF4_VERSION}/src/hdf-${HDF4_VERSION}.tar.gz
+RUN cd /build && curl -O http://www.hdfgroup.org/ftp/HDF5/current/src/hdf5-${HDF5_VERSION}.tar.gz
+RUN cd /build && curl -O ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-${NETCDF4_VERSION}.tar.gz
+
+
+# add zlib
+RUN cd /build && tar xzf zlib-${ZLIB_VERSION}.tar.gz && \
+    cd zlib-${ZLIB_VERSION} && \
+    ./configure --prefix="/usr" && make -j4 && make install
+
+# add libjpeg
+RUN cd /build && tar xzf jpegsrc.v${JPEG_VERSION}.tar.gz && \
+    cd jpeg-${JPEG_VERSION} && \
+    ./configure --prefix="/usr" && make -j4 && make install
+
+# add szip
+RUN cd /build && tar zxf szip-${SZIP_VERSION}.tar.gz && \
+    cd szip-${SZIP_VERSION} && \
+    ./configure --prefix="/usr" --disable-shared --with-pic && make -j4 && make install
+
+# FIXME: HDF4 currently claims it cannot build shared libraries for fortran? wtf?
+# https://lists.hdfgroup.org/pipermail/hdf-forum_lists.hdfgroup.org/2016-January/009163.html
+# enable-shared => disable-shared everywhere for now since we're most likely building static binaries anyways
+
+# add hdf4
+RUN cd /build && tar xzf hdf-${HDF4_VERSION}.tar.gz && \
+    cd hdf-${HDF4_VERSION} && \
+    export CFLAGS="-fPIC -DHAVE_NETCDF -DFALSE=0 -DTRUE=1 -fno-strict-aliasing" && \
+    export CXXFLAGS="-fPIC -DHAVE_NETCDF -DFALSE=0 -DTRUE=1 -fno-strict-aliasing" && \
+    ./configure --prefix="/usr" --disable-netcdf --enable-fortran --disable-shared --with-zlib="/usr" --with-szlib="/usr" --with-jpeg="/usr" && make -j4 && make install
+
+# FIXME: CFLAGS & CXXFLAGS - do we need to unset?
+
+# add hdf5
+RUN cd /build && tar xzf hdf5-${HDF5_VERSION}.tar.gz && \
+    cd hdf5-${HDF5_VERSION} && \
+    ./configure --prefix="/usr" --disable-shared --with-pic --with-zlib="/usr" --enable-cxx --enable-fortran --with-pthread --with-szlib="/usr" && make -j4 && make install
+
+# add netcdf
+# FIXME: failing with...
+# configure: error: Can't find or link to the hdf5 library. Use --disable-netcdf-4, or see config.log for errors.
+# but we don't need it for clavrx so skip for now
+#
+#RUN cd /build && tar xzf netcdf-${NETCDF4_VERSION}.tar.gz && \
+#    cd netcdf-${NETCDF4_VERSION} && \
+#    ./configure --prefix="/usr" --enable-hdf4 --enable-hdf4-file-tests --enable-fortran --disable-shared --disable-doxygen --disable-dap --with-pic  && make -j4 && make install
+
+
+# remove all the build cruft
+#RUN rm -rf /build
+#RUN rm -rf /usr/man

LICENSE

+The MIT License (MIT)
+
+Copyright (c) 2016 Nick Bearson
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

README.md

+# science-stack-docker
+mostly for automated builds, but the cheatsheat for non-automated:
+```bash
+docker build -t nbearson/science-stack .
+docker run -t -i nbearson/science-stack /bin/bash
+docker run -it --rm -v "$PWD":/workspace -w /workspace nbearson/science-stack /bin/bash
+docker push nbearson/science-stack
+```