Added Dockerfile

Dockerfile

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+FROM ubuntu:20.04
+
+ARG version=6.31.1
+ENV HEASOFT_VERSION=${version}
+
+LABEL version="${version}" \
+      description="HEASoft ${version} https://heasarc.gsfc.nasa.gov/lheasoft/" \
+      maintainer="NASA/GSFC/HEASARC https://heasarc.gsfc.nasa.gov/cgi-bin/ftoolshelp"
+
+# Install HEASoft prerequisites
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update \
+ && apt-get -y upgrade \
+ && apt-get -y install \
+    libreadline-dev \
+    libncurses5-dev \
+    ncurses-dev \
+    curl \
+    libcurl4 \
+    libcurl4-gnutls-dev \
+    xorg-dev \
+    make \
+	gcc \
+	gfortran \
+	g++ \
+	perl-modules \
+	libwww-perl \
+	python3-dev \
+	python3-pip \
+	python3-setuptools \
+	python3-venv \
+	python-is-python3 \
+	tcsh \
+	wget \
+ && pip3 install numpy \
+    scipy \
+    astropy \
+    autonicer \
+ && apt-get clean
+
+RUN groupadd heasoft && useradd -r -m -g heasoft heasoft \
+ && mkdir -p /opt/heasoft/caldb \
+ && mkdir -p /opt/heasoft/geomag \
+ && chown -R heasoft:heasoft /opt/heasoft
+
+USER heasoft
+WORKDIR /home/heasoft
+
+# Retrieve the HEASoft source code, unpack, configure,
+# make, install, clean up, and create symlinks....
+ARG heasoft_tarfile_suffix=src
+RUN wget https://heasarc.gsfc.nasa.gov/FTP/software/lheasoft/lheasoft${HEASOFT_VERSION}/heasoft-${HEASOFT_VERSION}${heasoft_tarfile_suffix}.tar.gz \
+ && echo "Unpacking heasoft-${HEASOFT_VERSION}${heasoft_tarfile_suffix}.tar.gz..." \
+ && tar xzvf heasoft-${HEASOFT_VERSION}${heasoft_tarfile_suffix}.tar.gz \
+ && rm -f heasoft-${HEASOFT_VERSION}${heasoft_tarfile_suffix}.tar.gz \
+ && cd ${HOME}/heasoft-${HEASOFT_VERSION}/BUILD_DIR/ \
+ && ./configure --prefix=/opt/heasoft 2>&1 | tee ${HOME}/configure.log \
+ && make 2>&1 | tee ${HOME}/build.log \
+ && make install 2>&1 | tee ${HOME}/install.log \
+ && make clean 2>&1 \
+ && /bin/bash -c 'cd /opt/heasoft/; for loop in x86_64*/*; do ln -sf $loop; done' \
+ && cd ${HOME}/heasoft-${HEASOFT_VERSION} \
+ && cp -p Xspec/BUILD_DIR/hmakerc /opt/heasoft/bin/ \
+ && cp -p Xspec/BUILD_DIR/Makefile-std /opt/heasoft/bin/ \
+ && rm -rf Xspec/src/spectral \
+ && cd \
+ && gzip -9 ${HOME}/*.log \
+ && cp -p ${HOME}/heasoft-${HEASOFT_VERSION}/Release_Notes* /opt/heasoft/
+ # && mkdir ${HOME}/heasoft-${HEASOFT_VERSION}/geomag
+
+# Configure shells...
+RUN /bin/echo >> /home/heasoft/.bashrc \
+ && /bin/echo '# Initialize HEASoft environment' >> /home/heasoft/.bashrc \
+ && /bin/echo 'export HEADAS=/opt/heasoft' >> /home/heasoft/.bashrc \
+ && /bin/echo '. $HEADAS/headas-init.sh' >> /home/heasoft/.bashrc \
+ && /bin/echo >> /home/heasoft/.bashrc \
+ && /bin/echo '# Initialize environment for CALDB' >> /home/heasoft/.bashrc \
+ && /bin/echo 'export CALDB=https://heasarc.gsfc.nasa.gov/FTP/caldb' >> /home/heasoft/.bashrc \
+ && /bin/echo 'export CALDBCONFIG=/opt/heasoft/caldb/caldb.config' >> /home/heasoft/.bashrc \
+ && /bin/echo 'export CALDBALIAS=/opt/heasoft/caldb/alias_config.fits' >> /home/heasoft/.bashrc \
+ && /bin/echo >> /home/heasoft/.profile \
+ && /bin/echo '# Initialize HEASoft environment' >> /home/heasoft/.profile \
+ && /bin/echo 'export HEADAS=/opt/heasoft' >> /home/heasoft/.profile \
+ && /bin/echo '. $HEADAS/headas-init.sh' >> /home/heasoft/.profile \
+ && /bin/echo >> /home/heasoft/.profile \
+ && /bin/echo '# Initialize environment for CALDB' >> /home/heasoft/.profile \
+ && /bin/echo 'export CALDB=https://heasarc.gsfc.nasa.gov/FTP/caldb' >> /home/heasoft/.profile \
+ && /bin/echo 'export CALDBCONFIG=/opt/heasoft/caldb/caldb.config' >> /home/heasoft/.profile \
+ && /bin/echo 'export CALDBALIAS=/opt/heasoft/caldb/alias_config.fits' >> /home/heasoft/.profile \
+ && /bin/echo '# Initialize HEASoft environment' >> /home/heasoft/.cshrc \
+ && /bin/echo 'setenv HEADAS /opt/heasoft' >> /home/heasoft/.cshrc \
+ && /bin/echo 'source $HEADAS/headas-init.csh' >> /home/heasoft/.cshrc \
+ && /bin/echo >> /home/heasoft/.cshrc \
+ && /bin/echo '# Initialize environment for CALDB' >> /home/heasoft/.cshrc \
+ && /bin/echo 'setenv CALDB https://heasarc.gsfc.nasa.gov/FTP/caldb' >> /home/heasoft/.cshrc \
+ && /bin/echo 'setenv CALDBCONFIG /opt/heasoft/caldb/caldb.config' >> /home/heasoft/.cshrc \
+ && /bin/echo 'setenv CALDBALIAS /opt/heasoft/caldb/alias_config.fits' >> /home/heasoft/.cshrc \
+ && /bin/echo >> /home/heasoft/.bashrc \
+ && /bin/echo '# Setup GEOMAG data Path' >> /home/heasoft/.bashrc \
+ && /bin/echo 'export GEOMAG_PATH=/opt/heasoft/geomag' >> /home/heasoft/.bashrc \
+ && /bin/echo >> /home/heasoft/.profile \
+ && /bin/echo '# Setup GEOMAG data Path' >> /home/heasoft/.profile \
+ && /bin/echo 'export GEOMAG_PATH=/opt/heasoft/geomag' >> /home/heasoft/.profile \
+ && /bin/echo >> /home/heasoft/.cshrc \
+ && /bin/echo '# Setup GEOMAG data Path' >> /home/heasoft/.cshrc \
+ && /bin/echo 'setenv GEOMAG_PATH=/opt/heasoft/geomag' >> /home/heasoft/.cshrc
+
+
+RUN cd /opt/heasoft/caldb \
+    && wget https://heasarc.gsfc.nasa.gov/FTP/caldb/software/tools/caldb.config \
+    && wget https://heasarc.gsfc.nasa.gov/FTP/caldb/software/tools/alias_config.fits
+
+ENV CC=/usr/bin/gcc \
+    CXX=/usr/bin/g++ \
+    FC=/usr/bin/gfortran \
+    PERL=/usr/bin/perl \
+    PERLLIB=/opt/heasoft/lib/perl \
+    PERL5LIB=/opt/heasoft/lib/perl \
+    PYTHON=/usr/bin/python \
+    PYTHONPATH=/opt/heasoft/lib/python:/opt/heasoft/lib \
+    PATH=/opt/heasoft/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin \
+    HEADAS=/opt/heasoft \
+    LHEASOFT=/opt/heasoft \
+    FTOOLS=/opt/heasoft \
+    LD_LIBRARY_PATH=/opt/heasoft/lib \
+    LHEAPERL=/usr/bin/perl \
+    PFCLOBBER=1 \
+    PFILES=/home/heasoft/pfiles;/opt/heasoft/syspfiles \
+    FTOOLSINPUT=stdin \
+    FTOOLSOUTPUT=stdout \
+    LHEA_DATA=/opt/heasoft/refdata \
+    LHEA_HELP=/opt/heasoft/help \
+    EXT=lnx \
+    PGPLOT_FONT=/opt/heasoft/lib/grfont.dat \
+    PGPLOT_RGB=/opt/heasoft/lib/rgb.txt \
+    PGPLOT_DIR=/opt/heasoft/lib \
+    POW_LIBRARY=/opt/heasoft/lib/pow \
+    XRDEFAULTS=/opt/heasoft/xrdefaults \
+    TCLRL_LIBDIR=/opt/heasoft/lib \
+    XANADU=/opt/heasoft \
+    XANBIN=/opt/heasoft \
+    CALDB=https://heasarc.gsfc.nasa.gov/FTP/caldb \
+    CALDBCONFIG=/opt/heasoft/caldb/caldb.config \
+    CALDBALIAS=/opt/heasoft/caldb/alias_config.fits \
+    GEOMAG_PATH=/opt/heasoft/geomag 
+
+CMD [ "fversion" ]