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<h1>Maneage</h1><h2>Managing Data Lineage</h2>
<p>Copyright © 2018-2020 Mohammad Akhlaghi <a href="mailto:mohammad@akhlaghi.org">mohammad@akhlaghi.org</a><br />
Copyright © 2020 Raul Infante-Sainz <a href="mailto:infantesainz@gmail.com">infantesainz@gmail.com</a><br />
<a href="#page-footer">License Conditions</a></p>
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<p>Maneage is a <strong>fully working template</strong> for doing reproducible research (or
writing a reproducible paper) as defined in the link below. If the link
below is not accessible at the time of reading, please see the appendix at
the end of this file for a portion of its introduction. Some
<a href="http://akhlaghi.org/pdf/reproducible-paper.pdf">slides</a> are also available
to help demonstrate the concept implemented here.</p>
<ul>
<li><a href="http://akhlaghi.org/reproducible-science.html">http://akhlaghi.org/reproducible-science.html</a></li>
</ul>
<p>Maneage is created with the aim of supporting reproducible research by
making it easy to start a project in this framework. As shown below, it is
very easy to customize Maneage for any particular (research) project and
expand it as it starts and evolves. It can be run with no modification (as
described in <code>README.md</code>) as a demonstration and customized for use in any
project as fully described below.</p>
<p>A project designed using Maneage will download and build all the necessary
libraries and programs for working in a closed environment (highly
independent of the host operating system) with fixed versions of the
necessary dependencies. The tarballs for building the local environment are
also collected in a <a href="http://git.maneage.org/tarballs-software.git/tree/">separate
repository</a>. The final
output of the project is <a href="http://git.maneage.org/output-raw.git/plain/paper.pdf">a
paper</a>. Notice the
last paragraph of the Acknowledgments where all the necessary software are
mentioned with their versions.</p>
<p>Below, we start with a discussion of why Make was chosen as the high-level
language/framework for project management and how to learn and master Make
easily (and freely). The general architecture and design of the project is
then discussed to help you navigate the files and their contents. This is
followed by a checklist for the easy/fast customization of Maneage to your
exciting research. We continue with some tips and guidelines on how to
manage or extend your project as it grows based on our experiences with it
so far. The main body concludes with a description of possible future
improvements that are planned for Maneage (but not yet implemented). As
discussed above, we end with a short introduction on the necessity of
reproducible science in the appendix.</p>
<p>Please don't forget to share your thoughts, suggestions and
criticisms. Maintaining and designing Maneage is itself a separate project,
so please join us if you are interested. Once it is mature enough, we will
describe it in a paper (written by all contributors) for a formal
introduction to the community.</p>
<h2>Why Make?</h2>
<p>When batch processing is necessary (no manual intervention, as in a
reproducible project), shell scripts are usually the first solution that
come to mind. However, the inherent complexity and non-linearity of
progress in a scientific project (where experimentation is key) make it
hard to manage the script(s) as the project evolves. For example, a script
will start from the top/start every time it is run. So if you have already
completed 90% of a research project and want to run the remaining 10% that
you have newly added, you have to run the whole script from the start
again. Only then will you see the effects of the last new steps (to find
possible errors, or better solutions and etc).</p>
<p>It is possible to manually ignore/comment parts of a script to only do a
special part. However, such checks/comments will only add to the complexity
of the script and will discourage you to play-with/change an already
completed part of the project when an idea suddenly comes up. It is also
prone to very serious bugs in the end (when trying to reproduce from
scratch). Such bugs are very hard to notice during the work and frustrating
to find in the end.</p>
<p>The Make paradigm, on the other hand, starts from the end: the final
<em>target</em>. It builds a dependency tree internally, and finds where it should
start each time the project is run. Therefore, in the scenario above, a
researcher that has just added the final 10% of steps of her research to
her Makefile, will only have to run those extra steps. With Make, it is
also trivial to change the processing of any intermediate (already written)
<em>rule</em> (or step) in the middle of an already written analysis: the next
time Make is run, only rules that are affected by the changes/additions
will be re-run, not the whole analysis/project.</p>
<p>This greatly speeds up the processing (enabling creative changes), while
keeping all the dependencies clearly documented (as part of the Make
language), and most importantly, enabling full reproducibility from scratch
with no changes in the project code that was working during the
research. This will allow robust results and let the scientists get to what
they do best: experiment and be critical to the methods/analysis without
having to waste energy and time on technical problems that come up as a
result of that experimentation in scripts.</p>
<p>Since the dependencies are clearly demarcated in Make, it can identify
independent steps and run them in parallel. This further speeds up the
processing. Make was designed for this purpose. It is how huge projects
like all Unix-like operating systems (including GNU/Linux or Mac OS
operating systems) and their core components are built. Therefore, Make is
a highly mature paradigm/system with robust and highly efficient
implementations in various operating systems perfectly suited for a complex
non-linear research project.</p>
<p>Make is a small language with the aim of defining <em>rules</em> containing
<em>targets</em>, <em>prerequisites</em> and <em>recipes</em>. It comes with some nice features
like functions or automatic-variables to greatly facilitate the management
of text (filenames for example) or any of those constructs. For a more
detailed (yet still general) introduction see the article on Wikipedia:</p>
<ul>
<li><a href="https://en.wikipedia.org/wiki/Make_(software)">https://en.wikipedia.org/wiki/Make_(software)</a></li>
</ul>
<p>Make is a +40 year old software that is still evolving, therefore many
implementations of Make exist. The only difference in them is some extra
features over the <a href="https://pubs.opengroup.org/onlinepubs/009695399/utilities/make.html">standard
definition</a>
(which is shared in all of them). Maneage is primarily written in GNU Make
(which it installs itself, you don't have to have it on your system). GNU
Make is the most common, most actively developed, and most advanced
implementation. Just note that Maneage downloads, builds, internally
installs, and uses its own dependencies (including GNU Make), so you don't
have to have it installed before you try it out.</p>
<h2>How can I learn Make?</h2>
<p>The GNU Make book/manual (links below) is arguably the best place to learn
Make. It is an excellent and non-technical book to help get started (it is
only non-technical in its first few chapters to get you started easily). It
is freely available and always up to date with the current GNU Make
release. It also clearly explains which features are specific to GNU Make
and which are general in all implementations. So the first few chapters
regarding the generalities are useful for all implementations.</p>
<p>The first link below points to the GNU Make manual in various formats and
in the second, you can download it in PDF (which may be easier for a first
time reading).</p>
<ul>
<li><a href="https://www.gnu.org/software/make/manual/">https://www.gnu.org/software/make/manual/</a></li>
<li><a href="https://www.gnu.org/software/make/manual/make.pdf">https://www.gnu.org/software/make/manual/make.pdf</a></li>
</ul>
<p>If you use GNU Make, you also have the whole GNU Make manual on the
command-line with the following command (you can come out of the "Info"
environment by pressing <code>q</code>).</p>
<pre><code>info make</code></pre>
<p>If you aren't familiar with the Info documentation format, we strongly
recommend running <code>$ info info</code> and reading along. In less than an hour,
you will become highly proficient in it (it is very simple and has a great
manual for itself). Info greatly simplifies your access (without taking
your hands off the keyboard!) to many manuals that are installed on your
system, allowing you to be much more efficient as you work. If you use the
GNU Emacs text editor (or any of its variants), you also have access to all
Info manuals while you are writing your projects (again, without taking
your hands off the keyboard!).</p>
<h2>Published works using Maneage</h2>
<p>The list below shows some of the works that have already been published
with (earlier versions of) Maneage. Previously it was simply called
"Reproducible paper template". Note that Maneage is evolving, so some
details may be different in them. The more recent ones can be used as a
good working example.</p>
<ul>
<li><p>Infante-Sainz et
al. (<a href="https://ui.adsabs.harvard.edu/abs/2020MNRAS.491.5317I">2020</a>,
MNRAS, 491, 5317): The version controlled project source is available
<a href="https://gitlab.com/infantesainz/sdss-extended-psfs-paper">on GitLab</a>
and is also archived on Zenodo with all the necessary software tarballs:
<a href="https://zenodo.org/record/3524937">zenodo.3524937</a>.</p></li>
<li><p>Akhlaghi (<a href="https://arxiv.org/abs/1909.11230">2019</a>, IAU Symposium
355). The version controlled project source is available <a href="https://gitlab.com/makhlaghi/iau-symposium-355">on
GitLab</a> and is also
archived on Zenodo with all the necessary software tarballs:
<a href="https://doi.org/10.5281/zenodo.3408481">zenodo.3408481</a>.</p></li>
<li><p>Section 7.3 of Bacon et
al. (<a href="http://adsabs.harvard.edu/abs/2017A%26A...608A...1B">2017</a>, A&A
608, A1): The version controlled project source is available <a href="https://gitlab.com/makhlaghi/muse-udf-origin-only-hst-magnitudes">on
GitLab</a>
and a snapshot of the project along with all the necessary input
datasets and outputs is available in
<a href="https://doi.org/10.5281/zenodo.1164774">zenodo.1164774</a>.</p></li>
<li><p>Section 4 of Bacon et
al. (<a href="http://adsabs.harvard.edu/abs/2017A%26A...608A...1B">2017</a>, A&A,
608, A1): The version controlled project is available <a href="https://gitlab.com/makhlaghi/muse-udf-photometry-astrometry">on
GitLab</a> and
a snapshot of the project along with all the necessary input datasets is
available in <a href="https://doi.org/10.5281/zenodo.1163746">zenodo.1163746</a>.</p></li>
<li><p>Akhlaghi & Ichikawa
(<a href="http://adsabs.harvard.edu/abs/2015ApJS..220....1A">2015</a>, ApJS, 220,
1): The version controlled project is available <a href="https://gitlab.com/makhlaghi/NoiseChisel-paper">on
GitLab</a>. This is the
very first (and much less mature!) incarnation of Maneage: the history
of Maneage started more than two years after this paper was
published. It is a very rudimentary/initial implementation, thus it is
only included here for historical reasons. However, the project source
is complete, accurate and uploaded to arXiv along with the paper.</p></li>
</ul>
<h2>Citation</h2>
<p>A paper to fully describe Maneage has been submitted. Until then, if you
used it in your work, please cite the paper that implemented its first
version: Akhlaghi & Ichikawa
(<a href="http://adsabs.harvard.edu/abs/2015ApJS..220....1A">2015</a>, ApJS, 220, 1).</p>
<p>Also, when your paper is published, don't forget to add a notice in your
own paper (in coordination with the publishing editor) that the paper is
fully reproducible and possibly add a sentence or paragraph in the end of
the paper shortly describing the concept. This will help spread the word
and encourage other scientists to also manage and publish their projects in
a reproducible manner.</p>
<h1>Project architecture</h1>
<p>In order to customize Maneage to your research, it is important to first
understand its architecture so you can navigate your way in the directories
and understand how to implement your research project within its framework:
where to add new files and which existing files to modify for what
purpose. But if this the first time you are using Maneage, before reading
this theoretical discussion, please run Maneage once from scratch without
any changes (described in <code>README.md</code>). You will see how it works (note that
the configure step builds all necessary software, so it can take long, but
you can continue reading while its working).</p>
<p>The project has two top-level directories: <code>reproduce</code> and
<code>tex</code>. <code>reproduce</code> hosts all the software building and analysis
steps. <code>tex</code> contains all the final paper's components to be compiled into
a PDF using LaTeX.</p>
<p>The <code>reproduce</code> directory has two sub-directories: <code>software</code> and
<code>analysis</code>. As the name says, the former contains all the instructions to
download, build and install (independent of the host operating system) the
necessary software (these are called by the <code>./project configure</code>
command). The latter contains instructions on how to use those software to
do your project's analysis.</p>
<p>After it finishes, <code>./project configure</code> will create the following symbolic
links in the project's top source directory: <code>.build</code> which points to the
top build directory and <code>.local</code> for easy access to the custom built
software installation directory. With these you can easily access the build
directory and project-specific software from your top source directory. For
example if you run <code>.local/bin/ls</code> you will be using the <code>ls</code> of Maneage,
which is probably different from your system's <code>ls</code> (run them both with
<code>--version</code> to check).</p>
<p>Once the project is configured for your system, <code>./project make</code> will do
the basic preparations and run the project's analysis with the custom
version of software. The <code>project</code> script is just a wrapper, and with the
<code>make</code> argument, it will first call <code>top-prepare.mk</code> and <code>top-make.mk</code>
(both are in the <code>reproduce/analysis/make</code> directory).</p>
<p>In terms of organization, <code>top-prepare.mk</code> and <code>top-make.mk</code> have an
identical design, only minor differences. So, let's continue Maneage's
architecture with <code>top-make.mk</code>. Once you understand that, you'll clearly
understand <code>top-prepare.mk</code> also. These very high-level files are
relatively short and heavily commented so hopefully the descriptions in
each comment will be enough to understand the general details. As you read
this section, please also look at the contents of the mentioned files and
directories to fully understand what is going on.</p>
<p>Before starting to look into the top <code>top-make.mk</code>, it is important to
recall that Make defines dependencies by files. Therefore, the
input/prerequisite and output of every step/rule must be a file. Also
recall that Make will use the modification date of the prerequisite(s) and
target files to see if the target must be re-built or not. Therefore during
the processing, <em>many</em> intermediate files will be created (see the tips
section below on a good strategy to deal with large/huge files).</p>
<p>To keep the source and (intermediate) built files separate, the user <em>must</em>
define a top-level build directory variable (or <code>$(BDIR)</code>) to host all the
intermediate files (you defined it during <code>./project configure</code>). This
directory doesn't need to be version controlled or even synchronized, or
backed-up in other servers: its contents are all products, and can be
easily re-created any time. As you define targets for your new rules, it is
thus important to place them all under sub-directories of <code>$(BDIR)</code>. As
mentioned above, you always have fast access to this "build"-directory with
the <code>.build</code> symbolic link. Also, beware to <em>never</em> make any manual change
in the files of the build-directory, just delete them (so they are
re-built).</p>
<p>In this architecture, we have two types of Makefiles that are loaded into
the top <code>Makefile</code>: <em>configuration-Makefiles</em> (only independent
variables/configurations) and <em>workhorse-Makefiles</em> (Makefiles that
actually contain analysis/processing rules).</p>
<p>The configuration-Makefiles are those that satisfy these two wildcards:
<code>reproduce/software/config/*.conf</code> (for building the necessary software
when you run <code>./project configure</code>) and <code>reproduce/analysis/config/*.conf</code>
(for the high-level analysis, when you run <code>./project make</code>). These
Makefiles don't actually have any rules, they just have values for various
free parameters throughout the configuration or analysis. Open a few of
them to see for yourself. These Makefiles must only contain raw Make
variables (project configurations). By "raw" we mean that the Make
variables in these files must not depend on variables in any other
configuration-Makefile. This is because we don't want to assume any order
in reading them. It is also very important to <em>not</em> define any rule, or
other Make construct, in these configuration-Makefiles.</p>
<p>Following this rule-of-thumb enables you to set these configure-Makefiles
as a prerequisite to any target that depends on their variable
values. Therefore, if you change any of their values, all targets that
depend on those values will be re-built. This is very convenient as your
project scales up and gets more complex.</p>
<p>The workhorse-Makefiles are those satisfying this wildcard
<code>reproduce/software/make/*.mk</code> and <code>reproduce/analysis/make/*.mk</code>. They
contain the details of the processing steps (Makefiles containing
rules). Therefore, in this phase <em>order is important</em>, because the
prerequisites of most rules will be the targets of other rules that will be
defined prior to them (not a fixed name like <code>paper.pdf</code>). The lower-level
rules must be imported into Make before the higher-level ones.</p>
<p>All processing steps are assumed to ultimately (usually after many rules)
end up in some number, image, figure, or table that will be included in the
paper. The writing of these results into the final report/paper is managed
through separate LaTeX files that only contain macros (a name given to a
number/string to be used in the LaTeX source, which will be replaced when
compiling it to the final PDF). So the last target in a workhorse-Makefile
is a <code>.tex</code> file (with the same base-name as the Makefile, but in
<code>$(BDIR)/tex/macros</code>). As a result, if the targets in a workhorse-Makefile
aren't directly a prerequisite of other workhorse-Makefile targets, they
can be a prerequisite of that intermediate LaTeX macro file and thus be
called when necessary. Otherwise, they will be ignored by Make.</p>
<p>Maneage also has a mode to share the build directory between several
users of a Unix group (when working on large computer clusters). In this
scenario, each user can have their own cloned project source, but share the
large built files between each other. To do this, it is necessary for all
built files to give full permission to group members while not allowing any
other users access to the contents. Therefore the <code>./project configure</code> and
<code>./project make</code> steps must be called with special conditions which are
managed in the <code>--group</code> option.</p>
<p>Let's see how this design is implemented. Please open and inspect
<code>top-make.mk</code> it as we go along here. The first step (un-commented line) is
to import the local configuration (your answers to the questions of
<code>./project configure</code>). They are defined in the configuration-Makefile
<code>reproduce/software/config/LOCAL.conf</code> which was also built by <code>./project
configure</code> (based on the <code>LOCAL.conf.in</code> template of the same directory).</p>
<p>The next non-commented set of the top <code>Makefile</code> defines the ultimate
target of the whole project (<code>paper.pdf</code>). But to avoid mistakes, a sanity
check is necessary to see if Make is being run with the same group settings
as the configure script (for example when the project is configured for
group access using the <code>./for-group</code> script, but Make isn't). Therefore we
use a Make conditional to define the <code>all</code> target based on the group
permissions.</p>
<p>Having defined the top/ultimate target, our next step is to include all the
other necessary Makefiles. However, order matters in the importing of
workhorse-Makefiles and each must also have a TeX macro file with the same
base name (without a suffix). Therefore, the next step in the top-level
Makefile is to define the <code>makesrc</code> variable to keep the base names
(without a <code>.mk</code> suffix) of the workhorse-Makefiles that must be imported,
in the proper order.</p>
<p>Finally, we import all the necessary remaining Makefiles: 1) All the
analysis configuration-Makefiles with a wildcard. 2) The software
configuration-Makefile that contains their version (just in case its
necessary). 3) All workhorse-Makefiles in the proper order using a Make
<code>foreach</code> loop.</p>
<p>In short, to keep things modular, readable and manageable, follow these
recommendations: 1) Set clear-to-understand names for the
configuration-Makefiles, and workhorse-Makefiles, 2) Only import other
Makefiles from top Makefile. These will let you know/remember generally
which step you are taking before or after another. Projects will scale up
very fast. Thus if you don't start and continue with a clean and robust
convention like this, in the end it will become very dirty and hard to
manage/understand (even for yourself). As a general rule of thumb, break
your rules into as many logically-similar but independent steps as
possible.</p>
<p>The <code>reproduce/analysis/make/paper.mk</code> Makefile must be the final Makefile
that is included. This workhorse Makefile ends with the rule to build
<code>paper.pdf</code> (final target of the whole project). If you look in it, you
will notice that this Makefile starts with a rule to create
<code>$(mtexdir)/project.tex</code> (<code>mtexdir</code> is just a shorthand name for
<code>$(BDIR)/tex/macros</code> mentioned before). As you see, the only dependency of
<code>$(mtexdir)/project.tex</code> is <code>$(mtexdir)/verify.tex</code> (which is the last
analysis step: it verifies all the generated results). Therefore,
<code>$(mtexdir)/project.tex</code> is <em>the connection</em> between the
processing/analysis steps of the project, and the steps to build the final
PDF.</p>
<p>During the research, it often happens that you want to test a step that is
not a prerequisite of any higher-level operation. In such cases, you can
(temporarily) define that processing as a rule in the most relevant
workhorse-Makefile and set its target as a prerequisite of its TeX
macro. If your test gives a promising result and you want to include it in
your research, set it as prerequisites to other rules and remove it from
the list of prerequisites for TeX macro file. In fact, this is how a
project is designed to grow in this framework.</p>
<h2>File modification dates (meta data)</h2>
<p>While Git does an excellent job at keeping a history of the contents of
files, it makes no effort in keeping the file meta data, and in particular
the dates of files. Therefore when you checkout to a different branch,
files that are re-written by Git will have a newer date than the other
project files. However, file dates are important in the current design of
Maneage: Make checks the dates of the prerequisite files and target files
to see if the target should be re-built.</p>
<p>To fix this problem, for Maneage we use a forked version of
<a href="https://github.com/mohammad-akhlaghi/metastore">Metastore</a>. Metastore use
a binary database file (which is called <code>.file-metadata</code>) to keep the
modification dates of all the files under version control. This file is
also under version control, but is hidden (because it shouldn't be modified
by hand). During the project's configuration, Maneage installs to Git hooks
to run Metastore 1) before making a commit to update its database with the
file dates in a branch, and 2) after doing a checkout, to reset the
file-dates after the checkout is complete and re-set the file dates back to
what they were.</p>
<p>In practice, Metastore should work almost fully invisibly within your
project. The only place you might notice its presence is that you'll see
<code>.file-metadata</code> in the list of modified/staged files (commonly after
merging your branches). Since its a binary file, Git also won't show you
the changed contents. In a merge, you can simply accept any changes with
<code>git add -u</code>. But if Git is telling you that it has changed without a merge
(for example if you started a commit, but canceled it in the middle), you
can just do <code>git checkout .file-metadata</code> and set it back to its original
state.</p>
<h2>Summary</h2>
<p>Based on the explanation above, some major design points you should have in
mind are listed below.</p>
<ul>
<li><p>Define new <code>reproduce/analysis/make/XXXXXX.mk</code> workhorse-Makefile(s)
with good and human-friendly name(s) replacing <code>XXXXXX</code>.</p></li>
<li><p>Add <code>XXXXXX</code>, as a new line, to the values in <code>makesrc</code> of the top-level
<code>Makefile</code>.</p></li>
<li><p>Do not use any constant numbers (or important names like filter names)
in the workhorse-Makefiles or paper's LaTeX source. Define such
constants as logically-grouped, separate configuration-Makefiles in
<code>reproduce/analysis/config/XXXXX.conf</code>. Then set this
configuration-Makefiles file as a prerequisite to any rule that uses
the variable defined in it.</p></li>
<li><p>Through any number of intermediate prerequisites, all processing steps
should end in (be a prerequisite of) <code>$(mtexdir)/verify.tex</code> (defined in
<code>reproduce/analysis/make/verify.mk</code>). <code>$(mtexdir)/verify.tex</code> is the sole
dependency of <code>$(mtexdir)/project.tex</code>, which is the bridge between the
processing steps and PDF-building steps of the project.</p></li>
</ul>
<h1>Customization checklist</h1>
<p>Take the following steps to fully customize Maneage for your research
project. After finishing the list, be sure to run <code>./project configure</code> and
<code>project make</code> to see if everything works correctly. If you notice anything
missing or any in-correct part (probably a change that has not been
explained here), please let us know to correct it.</p>
<p>As described above, the concept of reproducibility (during a project)
heavily relies on <a href="https://en.wikipedia.org/wiki/Version_control">version
control</a>. Currently Maneage
uses Git as its main version control system. If you are not already
familiar with Git, please read the first three chapters of the <a href="https://git-scm.com/book/en/v2">ProGit
book</a> which provides a wonderful practical
understanding of the basics. You can read later chapters as you get more
advanced in later stages of your work.</p>
<h2>First custom commit</h2>
<ol>
<li><p><strong>Get this repository and its history</strong> (if you don't already have it):
Arguably the easiest way to start is to clone Maneage and prepare for
your customizations as shown below. After the cloning first you rename
the default <code>origin</code> remote server to specify that this is Maneage's
remote server. This will allow you to use the conventional <code>origin</code>
name for your own project as shown in the next steps. Second, you will
create and go into the conventional <code>master</code> branch to start
committing in your project later.</p>
<pre><code>git clone https://git.maneage.org/project.git <span class="comment"># Clone/copy the project and its history.</span>
mv project my-project <span class="comment"># Change the name to your project's name.</span>
cd my-project <span class="comment"># Go into the cloned directory.</span>
git remote rename origin origin-maneage <span class="comment"># Rename current/only remote to "origin-maneage".</span>
git checkout -b master <span class="comment"># Create and enter your own "master" branch.</span>
pwd <span class="comment"># Just to confirm where you are.</span></code></pre></li>
<li><p><strong>Prepare to build project</strong>: The <code>./project configure</code> command of the
next step will build the different software packages within the
"build" directory (that you will specify). Nothing else on your system
will be touched. However, since it takes long, it is useful to see
what it is being built at every instant (its almost impossible to tell
from the torrent of commands that are produced!). So open another
terminal on your desktop and navigate to the same project directory
that you cloned (output of last command above). Then run the following
command. Once every second, this command will just print the date
(possibly followed by a non-existent directory notice). But as soon as
the next step starts building software, you'll see the names of
software get printed as they are being built. Once any software is
installed in the project build directory it will be removed. Again,
don't worry, nothing will be installed outside the build directory.</p>
<pre><code><span class="comment"># On another terminal (go to top project source directory, last command above)</span>
./project --check-config</code></pre></li>
<li><p><strong>Test Maneage</strong>: Before making any changes, it is important to test it
and see if everything works properly with the commands below. If there
is any problem in the <code>./project configure</code> or <code>./project make</code> steps,
please contact us to fix the problem before continuing. Since the
building of dependencies in configuration can take long, you can take
the next few steps (editing the files) while its working (they don't
affect the configuration). After <code>./project make</code> is finished, open
<code>paper.pdf</code>. If it looks fine, you are ready to start customizing the
Maneage for your project. But before that, clean all the extra Maneage
outputs with <code>make clean</code> as shown below.</p>
<pre><code>./project configure <span class="comment"># Build the project's software environment (can take an hour or so).</span>
./project make <span class="comment"># Do the processing and build paper (just a simple demo).</span>
<span class="comment"># Open 'paper.pdf' and see if everything is ok.</code></pre></li>
<li><p><strong>Setup the remote</strong>: You can use any <a href="https://en.wikipedia.org/wiki/Comparison_of_source_code_hosting_facilities">hosting
facility</a>
that supports Git to keep an online copy of your project's version
controlled history. We recommend <a href="https://gitlab.com">GitLab</a> because
it is <a href="https://www.gnu.org/software/repo-criteria-evaluation.html">more ethical (although not
perfect)</a>,
and later you can also host GitLab on your own server. Anyway, create
an account in your favorite hosting facility (if you don't already
have one), and define a new project there. Please make sure <em>the newly
created project is empty</em> (some services ask to include a <code>README</code> in
a new project which is bad in this scenario, and will not allow you to
push to it). It will give you a URL (usually starting with <code>git@</code> and
ending in <code>.git</code>), put this URL in place of <code>XXXXXXXXXX</code> in the first
command below. With the second command, "push" your <code>master</code> branch to
your <code>origin</code> remote, and (with the <code>--set-upstream</code> option) set them
to track/follow each other. However, the <code>maneage</code> branch is currently
tracking/following your <code>origin-maneage</code> remote (automatically set
when you cloned Maneage). So when pushing the <code>maneage</code> branch to your
<code>origin</code> remote, you <em>shouldn't</em> use <code>--set-upstream</code>. With the last
command, you can actually check this (which local and remote branches
are tracking each other).</p>
<pre><code>git remote add origin XXXXXXXXXX <span class="comment"># Newly created repo is now called 'origin'.</span>
git push --set-upstream origin master <span class="comment"># Push 'master' branch to 'origin' (with tracking).</span>
git push origin maneage <span class="comment"># Push 'maneage' branch to 'origin' (no tracking).</span></code></pre></li>
<li><p><strong>Title</strong>, <strong>short description</strong> and <strong>author</strong>: The title and basic
information of your project's output PDF paper should be added in
<code>paper.tex</code>. You should see the relevant place in the preamble (prior
to <code>\begin{document}</code>. After you are done, run the <code>./project make</code>
command again to see your changes in the final PDF, and make sure that
your changes don't cause a crash in LaTeX. Of course, if you use a
different LaTeX package/style for managing the title and authors (in
particular a specific journal's style), please feel free to use it
your own methods after finishing this checklist and doing your first
commit.</p></li>
<li><p><strong>Delete dummy parts</strong>: Maneage contains some parts that are only for
the initial/test run, mainly as a demonstration of important steps,
which you can use as a reference to use in your own project. But they
not for any real analysis, so you should remove these parts as
described below:</p>
<ul>
<li><p><code>paper.tex</code>: 1) Delete the text of the abstract (from
<code>\includeabstract{</code> to <code>\vspace{0.25cm}</code>) and write your own (a
single sentence can be enough now, you can complete it later). 2)
Add some keywords under it in the keywords part. 3) Delete
everything between <code>%% Start of main body.</code> and <code>%% End of main
body.</code>. 4) Remove the notice in the "Acknowledgments" section (in
<code>\new{}</code>) and Acknowledge your funding sources (this can also be
done later). Just don't delete the existing acknowledgment
statement: Maneage is possible thanks to funding from several
grants. Since Maneage is being used in your work, it is necessary to
acknowledge them in your work also.</p></li>
<li><p><code>reproduce/analysis/make/top-make.mk</code>: Delete the <code>delete-me</code> line
in the <code>makesrc</code> definition. Just make sure there is no empty line
between the <code>download \</code> and <code>verify \</code> lines (they should be
directly under each other).</p></li>
<li><p><code>reproduce/analysis/make/verify.mk</code>: In the final recipe, under the
commented line <code>Verify TeX macros</code>, remove the full line that
contains <code>delete-me</code>, and set the value of <code>s</code> in the line for
<code>download</code> to <code>XXXXX</code> (any temporary string, you'll fix it in the
end of your project, when its complete).</p></li>
<li><p>Delete all <code>delete-me*</code> files in the following directories:</p>
<pre><code>rm tex/src/delete-me*
rm reproduce/analysis/make/delete-me*
rm reproduce/analysis/config/delete-me*</code></pre></li>
<li><p>Disable verification of outputs by removing the <code>yes</code> from
<code>reproduce/analysis/config/verify-outputs.conf</code>. Later, when you are
ready to submit your paper, or publish the dataset, activate
verification and make the proper corrections in this file (described
under the "Other basic customizations" section below). This is a
critical step and only takes a few minutes when your project is
finished. So DON'T FORGET to activate it in the end.</p></li>
<li><p>Re-make the project (after a cleaning) to see if you haven't
introduced any errors.</p>
<pre><code>./project make clean
./project make</code></pre></li>
</ul></li>
<li><p><strong>Don't merge some files in future updates</strong>: As described below, you
can later update your infra-structure (for example to fix bugs) by
merging your <code>master</code> branch with <code>maneage</code>. For files that you have
created in your own branch, there will be no problem. However if you
modify an existing Maneage file for your project, next time its
updated on <code>maneage</code> you'll have an annoying conflict. The commands
below show how to fix this future problem. With them, you can
configure Git to ignore the changes in <code>maneage</code> for some of the files
you have already edited and deleted above (and will edit below). Note
that only the first <code>echo</code> command has a <code>></code> (to write over the file),
the rest are <code>>></code> (to append to it). If you want to avoid any other
set of files to be imported from Maneage into your project's branch,
you can follow a similar strategy. We recommend only doing it when you
encounter the same conflict in more than one merge and there is no
other change in that file. Also, don't add core Maneage Makefiles,
otherwise Maneage can break on the next run.</p>
<pre><code>echo "paper.tex merge=ours" > .gitattributes
echo "tex/src/delete-me.mk merge=ours" >> .gitattributes
echo "tex/src/delete-me-demo.mk merge=ours" >> .gitattributes
echo "reproduce/analysis/make/delete-me.mk merge=ours" >> .gitattributes
echo "reproduce/software/config/TARGETS.conf merge=ours" >> .gitattributes
echo "reproduce/analysis/config/delete-me-num.conf merge=ours" >> .gitattributes
git add .gitattributes</code></pre></li>
<li><p><strong>Copyright and License notice</strong>: It is necessary that <em>all</em> the
"copyright-able" files in your project (those larger than 10 lines)
have a copyright and license notice. Please take a moment to look at
several existing files to see a few examples. The copyright notice is
usually close to the start of the file, it is the line starting with
<code>Copyright (C)</code> and containing a year and the author's name (like the
examples below). The License notice is a short description of the
copyright license, usually one or two paragraphs with a URL to the
full license. Don't forget to add these <em>two</em> notices to <em>any new
file</em> you add in your project (you can just copy-and-paste). When you
modify an existing Maneage file (which already has the notices), just
add a copyright notice in your name under the existing one(s), like
the line with capital letters below. To start with, add this line with
your name and email address to <code>paper.tex</code>,
<code>tex/src/preamble-header.tex</code>, <code>reproduce/analysis/make/top-make.mk</code>,
and generally, all the files you modified in the previous step.</p>
<pre><code>Copyright (C) 2018-2020 Existing Name <existing@email.address>
Copyright (C) 2020 YOUR NAME <YOUR@EMAIL.ADDRESS></code></pre></li>
<li><p><strong>Configure Git for fist time</strong>: If this is the first time you are
running Git on this system, then you have to configure it with some
basic information in order to have essential information in the commit
messages (ignore this step if you have already done it). Git will
include your name and e-mail address information in each commit. You
can also specify your favorite text editor for making the commit
(<code>emacs</code>, <code>vim</code>, <code>nano</code>, and etc.).</p>
<pre><code>git config --global user.name "YourName YourSurname"
git config --global user.email your-email@example.com
git config --global core.editor nano</code></pre></li>
<li><p><strong>Your first commit</strong>: You have already made some small and basic
changes in the steps above and you are in your project's <code>master</code>
branch. So, you can officially make your first commit in your
project's history and push it. But before that, you need to make sure
that there are no problems in the project. This is a good habit to
always re-build the system before a commit to be sure it works as
expected.</p>
<pre><code>git status <span class="comment"># See which files you have changed.</span>
git diff <span class="comment"># Check the lines you have added/changed.</span>
./project make <span class="comment"># Make sure everything builds successfully.</span>
git add -u <span class="comment"># Put all tracked changes in staging area.</span>
git status <span class="comment"># Make sure everything is fine.</span>
git diff --cached <span class="comment"># Confirm all the changes that will be committed.</span>
git commit <span class="comment"># Your first commit: put a good description!</span>
git push <span class="comment"># Push your commit to your remote.</span></code></pre></li>
<li><p><strong>Start your exciting research</strong>: You are now ready to add flesh and
blood to this raw skeleton by further modifying and adding your
exciting research steps. You can use the "published works" section in
the introduction (above) as some fully working models to learn
from. Also, don't hesitate to contact us if you have any
questions.</p></li>
</ol>
<h2>Other basic customizations</h2>
<ul>
<li><p><strong>High-level software</strong>: Maneage installs all the software that your
project needs. You can specify which software your project needs in
<code>reproduce/software/config/TARGETS.conf</code>. The necessary software are
classified into two classes: 1) programs or libraries (usually written
in C/C++) which are run directly by the operating system. 2) Python
modules/libraries that are run within Python. By default
<code>TARGETS.conf</code> only has GNU Astronomy Utilities (Gnuastro) as one
scientific program and Astropy as one scientific Python module. Both
have many dependencies which will be installed into your project
during the configuration step. To see a list of software that are
currently ready to be built in Maneage, see
<code>reproduce/software/config/versions.conf</code> (which has their versions
also), the comments in <code>TARGETS.conf</code> describe how to use the software
name from <code>versions.conf</code>. Currently the raw pipeline just uses
Gnuastro to make the demonstration plots. Therefore if you don't need
Gnuastro, go through the analysis steps in <code>reproduce/analysis</code> and
remove all its use cases (clearly marked).</p></li>
<li><p><strong>Input dataset</strong>: The input datasets are managed through the
<code>reproduce/analysis/config/INPUTS.conf</code> file. It is best to gather all
the information regarding all the input datasets into this one central
file. To ensure that the proper dataset is being downloaded and used
by the project, it is also recommended get an <a href="https://en.wikipedia.org/wiki/MD5">MD5
checksum</a> of the file and include
that in <code>INPUTS.conf</code> so the project can check it automatically. The
preparation/downloading of the input datasets is done in
<code>reproduce/analysis/make/download.mk</code>. Have a look there to see how
these values are to be used. This information about the input datasets
is also used in the initial <code>configure</code> script (to inform the users),
so also modify that file. You can find all occurrences of the demo
dataset with the command below and replace it with your input's
dataset.</p>
<pre><code>grep -ir wfpc2 ./*</code></pre></li>
<li><p><strong><code>README.md</code></strong>: Correct all the <code>XXXXX</code> place holders (name of your
project, your own name, address of your project's online/remote
repository, link to download dependencies and etc). Generally, read
over the text and update it where necessary to fit your project. Don't
forget that this is the first file that is displayed on your online
repository and also your colleagues will first be drawn to read this
file. Therefore, make it as easy as possible for them to start
with. Also check and update this file one last time when you are ready
to publish your project's paper/source.</p></li>
<li><p><strong>Verify outputs</strong>: During the initial customization checklist, you
disabled verification. This is natural because during the project you
need to make changes all the time and its a waste of time to enable
verification every time. But at significant moments of the project
(for example before submission to a journal, or publication) it is
necessary. When you activate verification, before building the paper,
all the specified datasets will be compared with their respective
checksum and if any file's checksum is different from the one recorded
in the project, it will stop and print the problematic file and its
expected and calculated checksums. First set the value of
<code>verify-outputs</code> variable in
<code>reproduce/analysis/config/verify-outputs.conf</code> to <code>yes</code>. Then go to
<code>reproduce/analysis/make/verify.mk</code>. The verification of all the files
is only done in one recipe. First the files that go into the
plots/figures are checked, then the LaTeX macros. Validation of the
former (inputs to plots/figures) should be done manually. If its the
first time you are doing this, you can see two examples of the dummy
steps (with <code>delete-me</code>, you can use them if you like). These two
examples should be removed before you can run the project. For the
latter, you just have to update the checksums. The important thing to
consider is that a simple checksum can be problematic because some
file generators print their run-time date in the file (for example as
commented lines in a text table). When checking text files, this
Makefile already has this function:
<code>verify-txt-no-comments-leading-space</code>. As the name suggests, it will
remove comment lines and empty lines before calculating the MD5
checksum. For FITS formats (common in astronomy, fortunately there is
a <code>DATASUM</code> definition which will return the checksum independent of
the headers. You can use the provided function(s), or define one for
your special formats.</p></li>
<li><p><strong>Feedback</strong>: As you use Maneage you will notice many things that if
implemented from the start would have been very useful for your
work. This can be in the actual scripting and architecture of Maneage,
or useful implementation and usage tips, like those below. In any
case, please share your thoughts and suggestions with us, so we can
add them here for everyone's benefit.</p></li>
<li><p><strong>Re-preparation</strong>: Automatic preparation is only run in the first run
of the project on a system, to re-do the preparation you have to use
the option below. Here is the reason for this: when its necessary, the
preparation process can be slow and will unnecessarily slow down the
whole project while the project is under development (focus is on the
analysis that is done after preparation). Because of this, preparation
will be done automatically for the first time that the project is run
(when <code>.build/software/preparation-done.mk</code> doesn't exist). After the
preparation process completes once, future runs of <code>./project make</code>
will not do the preparation process anymore (will not call
<code>top-prepare.mk</code>). They will only call <code>top-make.mk</code> for the
analysis. To manually invoke the preparation process after the first
attempt, the <code>./project make</code> script should be run with the
<code>--prepare-redo</code> option, or you can delete the special file above.</p>
<pre><code>./project make --prepare-redo</code></pre></li>
<li><p><strong>Pre-publication</strong>: add notice on reproducibility**: Add a notice
somewhere prominent in the first page within your paper, informing the
reader that your research is fully reproducible. For example in the
end of the abstract, or under the keywords with a title like
"reproducible paper". This will encourage them to publish their own
works in this manner also and also will help spread the word.</p></li>
</ul>
<h1>Tips for designing your project</h1>
<p>The following is a list of design points, tips, or recommendations that
have been learned after some experience with this type of project
management. Please don't hesitate to share any experience you gain after
using it with us. In this way, we can add it here (with full giving credit)
for the benefit of others.</p>
<ul>
<li><p><strong>Modularity</strong>: Modularity is the key to easy and clean growth of a
project. So it is always best to break up a job into as many
sub-components as reasonable. Here are some tips to stay modular.</p>
<ul>
<li><p><em>Short recipes</em>: if you see the recipe of a rule becoming more than a
handful of lines which involve significant processing, it is probably
a good sign that you should break up the rule into its main
components. Try to only have one major processing step per rule.</p></li>
<li><p><em>Context-based (many) Makefiles</em>: For maximum modularity, this design
allows easy inclusion of many Makefiles: in
<code>reproduce/analysis/make/*.mk</code> for analysis steps, and
<code>reproduce/software/make/*.mk</code> for building software. So keep the
rules for closely related parts of the processing in separate
Makefiles.</p></li>
<li><p><em>Descriptive names</em>: Be very clear and descriptive with the naming of
the files and the variables because a few months after the
processing, it will be very hard to remember what each one was
for. Also this helps others (your collaborators or other people
reading the project source after it is published) to more easily
understand your work and find their way around.</p></li>
<li><p><em>Naming convention</em>: As the project grows, following a single standard
or convention in naming the files is very useful. Try best to use
multiple word filenames for anything that is non-trivial (separating
the words with a <code>-</code>). For example if you have a Makefile for
creating a catalog and another two for processing it under models A
and B, you can name them like this: <code>catalog-create.mk</code>,
<code>catalog-model-a.mk</code> and <code>catalog-model-b.mk</code>. In this way, when
listing the contents of <code>reproduce/analysis/make</code> to see all the
Makefiles, those related to the catalog will all be close to each
other and thus easily found. This also helps in auto-completions by
the shell or text editors like Emacs.</p></li>
<li><p><em>Source directories</em>: If you need to add files in other languages for
example in shell, Python, AWK or C, keep the files in the same
language in a separate directory under <code>reproduce/analysis</code>, with the
appropriate name.</p></li>
<li><p><em>Configuration files</em>: If your research uses special programs as part
of the processing, put all their configuration files in a devoted
directory (with the program's name) within
<code>reproduce/software/config</code>. Similar to the
<code>reproduce/software/config/gnuastro</code> directory (which is put in
Maneage as a demo in case you use GNU Astronomy Utilities). It is
much cleaner and readable (thus less buggy) to avoid mixing the
configuration files, even if there is no technical necessity.</p></li>
</ul></li>
<li><p><strong>Contents</strong>: It is good practice to follow the following
recommendations on the contents of your files, whether they are source
code for a program, Makefiles, scripts or configuration files
(copyrights aren't necessary for the latter).</p>
<ul>
<li><p><em>Copyright</em>: Always start a file containing programming constructs
with a copyright statement like the ones that Maneage starts with
(for example in the top level <code>Makefile</code>).</p></li>
<li><p><em>Comments</em>: Comments are vital for readability (by yourself in two
months, or others). Describe everything you can about why you are
doing something, how you are doing it, and what you expect the result
to be. Write the comments as if it was what you would say to describe
the variable, recipe or rule to a friend sitting beside you. When
writing the project it is very tempting to just steam ahead with
commands and codes, but be patient and write comments before the
rules or recipes. This will also allow you to think more about what
you should be doing. Also, in several months when you come back to
the code, you will appreciate the effort of writing them. Just don't
forget to also read and update the comment first if you later want to
make changes to the code (variable, recipe or rule). As a general
rule of thumb: first the comments, then the code.</p></li>
<li><p><em>File title</em>: In general, it is good practice to start all files with
a single line description of what that particular file does. If
further information about the totality of the file is necessary, add
it after a blank line. This will help a fast inspection where you
don't care about the details, but just want to remember/see what that
file is (generally) for. This information must of course be commented
(its for a human), but this is kept separate from the general
recommendation on comments, because this is a comment for the whole
file, not each step within it.</p></li>
</ul></li>
<li><p><strong>Make programming</strong>: Here are some experiences that we have come to
learn over the years in using Make and are useful/handy in research
contexts.</p>
<ul>
<li><p><em>Environment of each recipe</em>: If you need to define a special
environment (or aliases, or scripts to run) for all the recipes in
your Makefiles, you can use a Bash startup file
<code>reproduce/software/shell/bashrc.sh</code>. This file is loaded before every
Make recipe is run, just like the <code>.bashrc</code> in your home directory is
loaded every time you start a new interactive, non-login terminal. See
the comments in that file for more.</p></li>
<li><p><em>Automatic variables</em>: These are wonderful and very useful Make
constructs that greatly shrink the text, while helping in
read-ability, robustness (less bugs in typos for example) and
generalization. For example even when a rule only has one target or
one prerequisite, always use <code>$@</code> instead of the target's name, <code>$<</code>
instead of the first prerequisite, <code>$^</code> instead of the full list of
prerequisites and etc. You can see the full list of automatic
variables
<a href="https://www.gnu.org/software/make/manual/html_node/Automatic-Variables.html">here</a>. If
you use GNU Make, you can also see this page on your command-line:</p>
<pre><code>info make "automatic variables"</code></pre></li>
<li><p><em>Debug</em>: Since Make doesn't follow the common top-down paradigm, it
can be a little hard to get accustomed to why you get an error or
un-expected behavior. In such cases, run Make with the <code>-d</code>
option. With this option, Make prints a full list of exactly which
prerequisites are being checked for which targets. Looking
(patiently) through this output and searching for the faulty
file/step will clearly show you any mistake you might have made in
defining the targets or prerequisites.</p></li>
<li><p><em>Large files</em>: If you are dealing with very large files (thus having
multiple copies of them for intermediate steps is not possible), one
solution is the following strategy (Also see the next item on "Fast
access to temporary files"). Set a small plain text file as the
actual target and delete the large file when it is no longer needed
by the project (in the last rule that needs it). Below is a simple
demonstration of doing this. In it, we use Gnuastro's Arithmetic
program to add all pixels of the input image with 2 and create
<code>large1.fits</code>. We then subtract 2 from <code>large1.fits</code> to create
<code>large2.fits</code> and delete <code>large1.fits</code> in the same rule (when its no
longer needed). We can later do the same with <code>large2.fits</code> when it
is no longer needed and so on.
<pre><code>large1.fits.txt: input.fits
astarithmetic $< 2 + --output=$(subst .txt,,$@)
echo "done" > $@
large2.fits.txt: large1.fits.txt
astarithmetic $(subst .txt,,$<) 2 - --output=$(subst .txt,,$@)
rm $(subst .txt,,$<)
echo "done" > $@</code></pre>
A more advanced Make programmer will use Make's <a href="https://www.gnu.org/software/make/manual/html_node/Call-Function.html">call function</a>
to define a wrapper in <code>reproduce/analysis/make/initialize.mk</code>. This
wrapper will replace <code>$(subst .txt,,XXXXX)</code>. Therefore, it will be
possible to greatly simplify this repetitive statement and make the
code even more readable throughout the whole project.</p></li>
<li><p><em>Fast access to temporary files</em>: Most Unix-like operating systems
will give you a special shared-memory device (directory): on systems
using the GNU C Library (all GNU/Linux system), it is <code>/dev/shm</code>. The
contents of this directory are actually in your RAM, not in your
persistence storage like the HDD or SSD. Reading and writing from/to
the RAM is much faster than persistent storage, so if you have enough
RAM available, it can be very beneficial for large temporary files to
be put there. You can use the <code>mktemp</code> program to give the temporary
files a randomly-set name, and use text files as targets to keep that
name (as described in the item above under "Large files") for later
deletion. For example, see the minimal working example Makefile below
(which you can actually put in a <code>Makefile</code> and run if you have an
<code>input.fits</code> in the same directory, and Gnuastro is installed).
<pre><code>.ONESHELL:
.SHELLFLAGS = -ec
all: mean-std.txt
shm-maneage := /dev/shm/$(shell whoami)-maneage-XXXXXXXXXX
large1.txt: input.fits
out=$$(mktemp $(shm-maneage))
astarithmetic $< 2 + --output=$$out.fits
echo "$$out" > $@
large2.txt: large1.txt
input=$$(cat $<)
out=$$(mktemp $(shm-maneage))
astarithmetic $$input.fits 2 - --output=$$out.fits
rm $$input.fits $$input
echo "$$out" > $@
mean-std.txt: large2.txt
input=$$(cat $<)
aststatistics $$input.fits --mean --std > $@
rm $$input.fits $$input</code></pre>
The important point here is that the temporary name template
(<code>shm-maneage</code>) has no suffix. So you can add the suffix
corresponding to your desired format afterwards (for example
<code>$$out.fits</code>, or <code>$$out.txt</code>). But more importantly, when <code>mktemp</code>
sets the random name, it also checks if no file exists with that name
and creates a file with that exact name at that moment. So at the end
of each recipe above, you'll have two files in your <code>/dev/shm</code>, one
empty file with no suffix one with a suffix. The role of the file
without a suffix is just to ensure that the randomly set name will
not be used by other calls to <code>mktemp</code> (when running in parallel) and
it should be deleted with the file containing a suffix. This is the
reason behind the <code>rm $$input.fits $$input</code> command above: to make
sure that first the file with a suffix is deleted, then the core
random file (note that when working in parallel on powerful systems,
in the time between deleting two files of a single <code>rm</code> command, many
things can happen!). When using Maneage, you can put the definition
of <code>shm-maneage</code> in <code>reproduce/analysis/make/initialize.mk</code> to be
usable in all the different Makefiles of your analysis, and you won't
need the three lines above it. <strong>Finally, BE RESPONSIBLE:</strong> after you
are finished, be sure to clean up any possibly remaining files (due
to crashes in the processing while you are working), otherwise your
RAM may fill up very fast. You can do it easily with a command like
this on your command-line: <code>rm -f /dev/shm/$(whoami)-*</code>.</p></li>
</ul></li>
<li><p><strong>Software tarballs and raw inputs</strong>: It is critically important to
document the raw inputs to your project (software tarballs and raw
input data):</p>
<ul>
<li><p><em>Keep the source tarball of dependencies</em>: After configuration
finishes, the <code>.build/software/tarballs</code> directory will contain all
the software tarballs that were necessary for your project. You can
mirror the contents of this directory to keep a backup of all the
software tarballs used in your project (possibly as another version
controlled repository) that is also published with your project. Note
that software web-pages are not written in stone and can suddenly go
offline or not be accessible in some conditions. This backup is thus
very important. If you intend to release your project in a place like
Zenodo, you can upload/keep all the necessary tarballs (and data)
there with your
project. <a href="https://doi.org/10.5281/zenodo.1163746">zenodo.1163746</a> is
one example of how the data, Gnuastro (main software used) and all
major Gnuastro's dependencies have been uploaded with the project's
source. Just note that this is only possible for free and open-source
software.</p></li>
<li><p><em>Keep your input data</em>: The input data is also critical to the
project's reproducibility, so like the above for software, make sure
you have a backup of them, or their persistent identifiers (PIDs).</p></li>
</ul></li>
<li><p><strong>Version control</strong>: Version control is a critical component of
Maneage. Here are some tips to help in effectively using it.</p>
<ul>
<li><p><em>Regular commits</em>: It is important (and extremely useful) to have the
history of your project under version control. So try to make commits
regularly (after any meaningful change/step/result).</p></li>
<li><p><em>Keep Maneage up-to-date</em>: In time, Maneage is going to become more
and more mature and robust (thanks to your feedback and the feedback
of other users). Bugs will be fixed and new/improved features will be
added. So every once and a while, you can run the commands below to
pull new work that is done in Maneage. If the changes are useful for
your work, you can merge them with your project to benefit from
them. Just pay <strong>very close attention</strong> to resolving possible
<strong>conflicts</strong> which might happen in the merge (updated settings that
you have customized in Maneage).</p>
<pre><code>git checkout maneage
git pull <span class="comment"># Get recent work in Maneage</span>
git log XXXXXX..XXXXXX --reverse <span class="comment"># Inspect new work (replace XXXXXXs with hashs mentioned in output of previous command).</span>
git log --oneline --graph --decorate --all <span class="comment"># General view of branches.</span>
git checkout master <span class="comment"># Go to your top working branch.</span>
git merge maneage <span class="comment"># Import all the work into master.</span></code></pre></li>
<li><p><em>Adding Maneage to a fork of your project</em>: As you and your colleagues
continue your project, it will be necessary to have separate
forks/clones of it. But when you clone your own project on a
different system, or a colleague clones it to collaborate with you,
the clone won't have the <code>origin-maneage</code> remote that you started the
project with. As shown in the previous item above, you need this
remote to be able to pull recent updates from Maneage. The steps
below will setup the <code>origin-maneage</code> remote, and a local <code>maneage</code>
branch to track it, on the new clone.</p>
<pre><code>git remote add origin-maneage https://git.maneage.org/project.git
git fetch origin-maneage
git checkout -b maneage --track origin-maneage/maneage</code></pre></li>
<li><p><em>Commit message</em>: The commit message is a very important and useful
aspect of version control. To make the commit message useful for
others (or yourself, one year later), it is good to follow a
consistent style. Maneage already has a consistent formatting
(described below), which you can also follow in your project if you
like. You can see many examples by running <code>git log</code> in the <code>maneage</code>
branch. If you intend to push commits to Maneage, for the consistency
of Maneage, it is necessary to follow these guidelines. 1) No line
should be more than 75 characters (to enable easy reading of the
message when you run <code>git log</code> on the standard 80-character
terminal). 2) The first line is the title of the commit and should
summarize it (so <code>git log --oneline</code> can be useful). The title should
also not end with a point (<code>.</code>, because its a short single sentence,
so a point is not necessary and only wastes space). 3) After the
title, leave an empty line and start the body of your message
(possibly containing many paragraphs). 4) Describe the context of
your commit (the problem it is trying to solve) as much as possible,
then go onto how you solved it. One suggestion is to start the main
body of your commit with "Until now ...", and continue describing the
problem in the first paragraph(s). Afterwards, start the next
paragraph with "With this commit ...".</p></li>
<li><p><em>Project outputs</em>: During your research, it is possible to checkout a
specific commit and reproduce its results. However, the processing
can be time consuming. Therefore, it is useful to also keep track of
the final outputs of your project (at minimum, the paper's PDF) in
important points of history. However, keeping a snapshot of these
(most probably large volume) outputs in the main history of the
project can unreasonably bloat it. It is thus recommended to make a
separate Git repo to keep those files and keep your project's source
as small as possible. For example if your project is called
<code>my-exciting-project</code>, the name of the outputs repository can be
<code>my-exciting-project-output</code>. This enables easy sharing of the output
files with your co-authors (with necessary permissions) and not
having to bloat your email archive with extra attachments also (you
can just share the link to the online repo in your
communications). After the research is published, you can also
release the outputs repository, or you can just delete it if it is
too large or un-necessary (it was just for convenience, and fully
reproducible after all). For example Maneage's output is available
for demonstration in <a href="http://git.maneage.org/output-raw.git/">a
separate</a> repository.</p></li>
<li><p><em>Full Git history in one file</em>: When you are publishing your project
(for example to Zenodo for long term preservation), it is more
convenient to have the whole project's Git history into one file to
save with your datasets. After all, you can't be sure that your
current Git server (for example GitLab, Github, or Bitbucket) will be
active forever. While they are good for the immediate future, you
can't rely on them for archival purposes. Fortunately keeping your
whole history in one file is easy with Git using the following
commands. To learn more about it, run <code>git help bundle</code>.</p>
<ul>
<li>"bundle" your project's history into one file (just don't forget to
change <code>my-project-git.bundle</code> to a descriptive name of your
project):</li>
</ul>
<pre><code>git bundle create my-project-git.bundle --all</code></pre>
<ul>
<li>You can easily upload <code>my-project-git.bundle</code> anywhere. Later, if
you need to un-bundle it, you can use the following command.</li>
</ul>
<p><p><pre><code>git clone my-project-git.bundle</code></pre></li>
</ul></p></li>
</ul></p>
<h1>Future improvements</h1>
<p>This is an evolving project and as time goes on, it will evolve and become
more robust. Some of the most prominent issues we plan to implement in the
future are listed below, please join us if you are interested.</p>
<h2>Package management</h2>
<p>It is important to have control of the environment of the project. Maneage
currently builds the higher-level programs (for example GNU Bash, GNU Make,
GNU AWK and domain-specific software) it needs, then sets <code>PATH</code> so the
analysis is done only with the project's built software. But currently the
configuration of each program is in the Makefile rules that build it. This
is not good because a change in the build configuration does not
automatically cause a re-build. Also, each separate project on a system
needs to have its own built tools (that can waste a lot of space).</p>
<p>A good solution is based on the <a href="https://nixos.org/nix/about.html">Nix package manager</a>: a separate file is present for
each software, containing all the necessary info to build it (including its
URL, its tarball MD5 hash, dependencies, configuration parameters, build
steps and etc). Using this file, a script can automatically generate the
Make rules to download, build and install program and its dependencies
(along with the dependencies of those dependencies and etc).</p>
<p>All the software are installed in a "store". Each installed file (library
or executable) is prefixed by a hash of this configuration (and the OS
architecture) and the standard program name. For example (from the Nix
webpage):</p>
<pre><code>/nix/store/b6gvzjyb2pg0kjfwrjmg1vfhh54ad73z-firefox-33.1/</code></pre>
<p>The important thing is that the "store" is <em>not</em> in the project's search
path. After the complete installation of the software, symbolic links are
made to populate each project's program and library search paths without a
hash. This hash will be unique to that particular software and its
particular configuration. So simply by searching for this hash in the
installed directory, we can find the installed files of that software to
generate the links.</p>
<p>This scenario has several advantages: 1) a change in a software's build
configuration triggers a rebuild. 2) a single "store" can be used in many
projects, thus saving space and configuration time for new projects (that
commonly have large overlaps in lower-level programs).</p>
<h1>Appendix: Necessity of exact reproduction in scientific research</h1>
<p>In case <a href="http://akhlaghi.org/reproducible-science.html">the link above</a> is
not accessible at the time of reading, here is a copy of the introduction
of that link, describing the necessity for a reproducible project like this
(copied on February 7th, 2018):</p>
<p>The most important element of a "scientific" statement/result is the fact
that others should be able to falsify it. The Tsunami of data that has
engulfed astronomers in the last two decades, combined with faster
processors and faster internet connections has made it much more easier to
obtain a result. However, these factors have also increased the complexity
of a scientific analysis, such that it is no longer possible to describe
all the steps of an analysis in the published paper. Citing this
difficulty, many authors suffice to describing the generalities of their
analysis in their papers.</p>
<p>However, It is impossible to falsify (or even study) a result if you can't
exactly reproduce it. The complexity of modern science makes it vitally
important to exactly reproduce the final result. Because even a small
deviation can be due to many different parts of an analysis. Nature is
already a black box which we are trying so hard to comprehend. Not letting
other scientists see the exact steps taken to reach a result, or not
allowing them to modify it (do experiments on it) is a self-imposed black
box, which only exacerbates our ignorance.</p>
<p>Other scientists should be able to reproduce, check and experiment on the
results of anything that is to carry the "scientific" label. Any result
that is not reproducible (due to incomplete information by the author) is
not scientific: the readers have to have faith in the subjective experience
of the authors in the very important choice of configuration values and
order of operations: this is contrary to the scientific spirit.</p>
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