Commit abe9f19f authored by Arnaud Legrand's avatar Arnaud Legrand

Many additional references

parent dc277b73
...@@ -6,7 +6,126 @@ ...@@ -6,7 +6,126 @@
#+OPTIONS: num:nil toc:t #+OPTIONS: num:nil toc:t
#+PROPERTY: header-args :eval never-export #+PROPERTY: header-args :eval never-export
* Getting information about your Git repository * Additional references
** "Thoughts" on language/software stability
As we explained, the programming language used in an analysis has a
clear influence on the reproducibility of your analysis. It is not a
characteristic of the language itself but rather a consequence of the
development philosophy of the underlying community. For example C is a
very stable language with a [[https://en.wikipedia.org/wiki/C_(programming_language)#ANSI_C_and_ISO_C][very clear specification designed by a
committee]] (even though some compilers may not respect this norm).
On the other end of the spectrum, [[https://en.wikipedia.org/wiki/Python_(programming_language)][Python]] had a much more organic
development based on a readability philosophy and has evolved with
time. Furthermore, python is commonly used as a wrapping language
(e.g., to easily use C or FORTRAN libraries) and has its own packaging
system to make everyone's life easier. All these design choices tend
to make reproducibility often a bit painful with python, even though
the community is slowly taking this into account.
[[https://en.wikipedia.org/wiki/R_(programming_language)][R]], in comparison is much closer (in terms of developer community) to
languages like [[https://en.wikipedia.org/wiki/SAS_(software)][SAS]], which is heavily used in the pharmaceutical
industry where statistical procedures need to be standardized and rock
solid/stable. R is obviously not immune to evolutions that break old
versions and hinder reproducibility/backward compatibility. Here is a
relatively recent [[http://members.cbio.mines-paristech.fr/~thocking/HOCKING-reproducible-research-with-R.html][true story about this]] and some colleagues who worked
on the [[https://www.fun-mooc.fr/courses/UPSUD/42001S06/session06/about][statistics introductory course with R on FUN]] reported us
several issues with functions from a few functions (=plotmeans= from
=gplots=, =survfit= from =survival=, or =hclust=) whose default
parameters had changed over the years. It is thus probably a good
practice to explicitly indicate in your code default values (, which
can be cumbersome) and to restrict your dependencies as much as
possible.
This being said, the R development community is generally quite
careful about stability. We (the authors of this MOOC) think open
source (, which allows to inspect how computation is done and to
identify both mistakes and sources of non reproducibility) is more
important than the rock solid stability of SAS, which is a proprietary
software. Yet, if you really need to stay with SAS (similar solutions
probably exist for other languages as well), you should know that SAS
can be used within Jupyter using either the [[https://sassoftware.github.io/sas_kernel/][Python SASKernel]] or the
[[https://sassoftware.github.io/saspy/][Python SASPy]] package (step by step explanations about this are given
[[https://app-learninglab.inria.fr/gitlab/85bc36e0a8096c618fbd5993d1cca191/mooc-rr/blob/master/documents/tuto_jupyter_windows/tuto_jupyter_windows.md][here]]). Using such literate programming approach allied with systematic
control version and environment control will help anyway.
** Controlling your software environment
As we mentioned in the video sequences, there are several solutions to
control your environment:
- The easy (preserve the mess) ones: [[http://www.pgbovine.net/cde.html][CDE]] or [[https://vida-nyu.github.io/reprozip/][ReproZip]]
- The more demanding (encourage cleanliness) where you start with a
clean environment and install only what's strictly necessary (and document it):
- The very well known [[https://www.docker.io/][Docker]]
- [[https://singularity.lbl.gov/][Singularity]] or [[https://spack.io/][Spack]], which are more targeted toward high
performance computing users that have specific needs
- [[https://www.gnu.org/software/guix/][Guix]], [[https://nixos.org/][Nix]] that are very clean (perfect?) solutions to this
dependency hell and which we recommend
It may be hard to understand the difference between these different
approaches and decide which one is better in your context.
Here is a webinar where some of these tools are demoed in a
reproducible research context: [[https://github.com/alegrand/RR_webinars/blob/master/2_controling_your_environment/index.org][Controling your environment (by Michael
Mercier and Cristian Ruiz)]]
You may also want to have a look at [[http://falsifiable.us/][the Popper conventions]] ([[https://github.com/alegrand/RR_webinars/blob/master/11_popper/index.org][webinar by
Ivo Gimenez through google hangout]]) or at the [[https://github.com/alegrand/RR_webinars/blob/master/7_publications/index.org][presentation of Konrad
Hinsen on Active Papers]] (http://www.activepapers.org/).
** Preservation/Archiving
Ensuring software is properly archived, i.e, is safely stored so that
it can be accessed in a perennial way, can be quite tricky. If you
have never seen [[https://github.com/alegrand/RR_webinars/blob/master/5_archiving_software_and_data/index.org][Roberto Di Cosmo presenting the Software Heritage
project]], this is a must see. https://www.softwareheritage.org/
For regular data, we highly recommend using https://www.zenodo.org/
whenever data is not sensitive.
** Workflows
In the video sequences, we mentioned workflows (original domain in parenthesis):
- [[https://galaxyproject.org/][Galaxy]] (genomics), [[https://kepler-project.org/][Kepler]] (ecology), [[https://taverna.apache.org/][Taverna]] (bio-informatics), [[https://pegasus.isi.edu/][Pegasus]]
(astronomy), [[http://cknowledge.org/][Collective Knowledge]] (compiling optimization) ,
[[https://www.vistrails.org][VisTrails]] (image processing)
- Light-weight: [[http://dask.pydata.org/][dask]] (python), [[https://ropensci.github.io/drake/][drake]] (R), [[http://swift-lang.org/][swift]] (molecular biology),
[[https://snakemake.readthedocs.io/][snakemake]] (like =make= but more expressive and in =python=) ...
- Hybrids: [[https://vatlab.github.io/sos-docs/][SOS-notebook]], ...
You may want to have a look at this webinar: [[https://github.com/alegrand/RR_webinars/blob/master/6_reproducibility_bioinformatics/index.org][Reproducible Science in
Bio-informatics: Current Status, Solutions and Research Opportunities
(by Sarah Cohen Boulakia, Yvan Le Bras and Jérôme Chopard).]]
** Numerical and statistical issues
These topics could only be mentioned in our MOOC but could by no way
be properly covered. We only suggest here a few interesting talks
about this.
- [[https://github.com/alegrand/RR_webinars/blob/master/10_statistics_and_replication_in_HCI/index.org][In this talk, Pierre Dragicevic provides a nice illustration of the
consequences of statistical uncertainty and of how some concepts
(e.G. p-values) are commonly badly understood.]]
- [[https://github.com/alegrand/RR_webinars/blob/master/3_numerical_reproducibility/index.org][Nathalie Revol, Philippe Langlois and Stef Graillat present the main
challenges encountered when trying to achieve numerical
reproducibility and present recent research work on this topic.]]
** Publication practices
You may want to have a look at the following two webinars:
- [[https://github.com/alegrand/RR_webinars/blob/master/8_artifact_evaluation/index.org][Enabling open and reproducible research at computer systems
conferences (by Grigori Fursin)]]. In particular, this talk discusses
/artifact evaluation/ that are becoming more and more popular.
- [[https://github.com/alegrand/RR_webinars/blob/master/7_publications/index.org][Publication Modes Favoring Reproducible Research (by Konrad Hinsen
and Nicolas Rougier)]]. In this talk, the motivation for the [[http://rescience.github.io/][ReScience
journal]] initiative are presented.
- [[https://www.youtube.com/watch?v=HuJ2G8rXHMs][Simine Vazire - When Should We be Skeptical of Scientific Claims?]],
which is discussing publication practices in social sciences and in
particular HARKing (Hypothesizing After the Results are Known),
p-hacking, etc.
** Experimentation
Experimentation was not covered in this MOOC whereas it is an
essential part of science. The main reason is that practices and
constraints can vary so wildly from a domain to an other that it could
not be properly covered in a first edition. We would be happy to
gather references you consider as interesting in your domain so do not
hesitate to provide us with such references by using the forum and we
will update this page.
- [[https://github.com/alegrand/RR_webinars/blob/master/9_experimental_testbeds/index.org][A recent talk by Lucas Nussbaum on Experimental Testbeds in Computer
Science]].
* Tracking environment information
** Getting information about your Git repository
When taking notes, it may be difficult to remember which version of When taking notes, it may be difficult to remember which version of
the code or of a file was used. This is what version control is useful the code or of a file was used. This is what version control is useful
for. Here are a few useful commands that we typically insert at the for. Here are a few useful commands that we typically insert at the
...@@ -84,8 +203,8 @@ Obviously, in this case you need to save the notebook before running ...@@ -84,8 +203,8 @@ Obviously, in this case you need to save the notebook before running
this cell, hence the output of this final command (with the new git this cell, hence the output of this final command (with the new git
hash) will not be stored in the cell. This is not really a problem and hash) will not be stored in the cell. This is not really a problem and
is the price to pay for running git from within the notebook itself. is the price to pay for running git from within the notebook itself.
* Getting information about Python(3) libraries ** Getting information about Python(3) libraries
** Getting the list of installed packages and their version *** Getting the list of installed packages and their version
This topic is discussed on [[https://stackoverflow.com/questions/20180543/how-to-check-version-of-python-modules][StackOverflow]]. When using =pip= (the Python This topic is discussed on [[https://stackoverflow.com/questions/20180543/how-to-check-version-of-python-modules][StackOverflow]]. When using =pip= (the Python
package installer) within a shell command, it is easy to query the package installer) within a shell command, it is easy to query the
version of all installed packages (note that on your system, you may version of all installed packages (note that on your system, you may
...@@ -181,7 +300,7 @@ License: BSD License ...@@ -181,7 +300,7 @@ License: BSD License
Location: /home/alegrand/.local/lib/python3.6/site-packages Location: /home/alegrand/.local/lib/python3.6/site-packages
Requires: patsy, pandas Requires: patsy, pandas
#+end_example #+end_example
** How to list imported modules? *** How to list imported modules?
Without resorting to pip (that will list all available packages), you Without resorting to pip (that will list all available packages), you
may want to know which modules are loaded in a Python session as well may want to know which modules are loaded in a Python session as well
as their version. Inspiring from [[https://stackoverflow.com/questions/4858100/how-to-list-imported-modules][StackOverflow]], here is a simple as their version. Inspiring from [[https://stackoverflow.com/questions/4858100/how-to-list-imported-modules][StackOverflow]], here is a simple
...@@ -238,7 +357,7 @@ urllib.request 3.6 ...@@ -238,7 +357,7 @@ urllib.request 3.6
zlib 1.0 zlib 1.0
#+end_example #+end_example
** Setting up an environment with pip *** Setting up an environment with pip
The easiest way to go is as follows: The easiest way to go is as follows:
#+begin_src shell :results output :exports both #+begin_src shell :results output :exports both
pip3 freeze > requirements.txt # to obtain the list of packages with their version pip3 freeze > requirements.txt # to obtain the list of packages with their version
...@@ -248,7 +367,7 @@ pip3 install -r requirements.txt # to install the previous list of packages, pos ...@@ -248,7 +367,7 @@ pip3 install -r requirements.txt # to install the previous list of packages, pos
If you want to have several installed Python environments, you may If you want to have several installed Python environments, you may
want to use [[https://docs.pipenv.org/][Pipenv]]. I doubt it allows to track correctly FORTRAN or C want to use [[https://docs.pipenv.org/][Pipenv]]. I doubt it allows to track correctly FORTRAN or C
dynamic libraries that are wrapped by Python though. dynamic libraries that are wrapped by Python though.
** Installing a new package or a specific version *** Installing a new package or a specific version
The Jupyter environment we deployed on our servers for the MOOC is The Jupyter environment we deployed on our servers for the MOOC is
based on the version 4.5.4 of Miniconda and Python 3.6. In this based on the version 4.5.4 of Miniconda and Python 3.6. In this
environment you should simply use the =pip= command (remember on your environment you should simply use the =pip= command (remember on your
...@@ -300,8 +419,8 @@ It is even possible to install a specific (possibly much older) version, e.g.,: ...@@ -300,8 +419,8 @@ It is even possible to install a specific (possibly much older) version, e.g.,:
#+begin_src shell :results output :exports both #+begin_src shell :results output :exports both
pip install statsmodels==0.6.1 pip install statsmodels==0.6.1
#+end_src #+end_src
* Getting information about R libraries ** Getting information about R libraries
** Getting the list imported modules and their version *** Getting the list imported modules and their version
The best way seems to be to rely on the =devtools= package (if this The best way seems to be to rely on the =devtools= package (if this
package is not installed, you should install it first by running in =R= package is not installed, you should install it first by running in =R=
the command =install.packages("devtools")=). the command =install.packages("devtools")=).
...@@ -363,7 +482,7 @@ Packages ---------------------------------------------------------------------- ...@@ -363,7 +482,7 @@ Packages ----------------------------------------------------------------------
Some actually advocate that [[https://github.com/ropensci/rrrpkg][writing a reproducible research compendium Some actually advocate that [[https://github.com/ropensci/rrrpkg][writing a reproducible research compendium
can be done by writing an R package]]. Those of you willing to have a can be done by writing an R package]]. Those of you willing to have a
clean R dependency management should thus have a look at [[https://rstudio.github.io/packrat/][Packrat]]. clean R dependency management should thus have a look at [[https://rstudio.github.io/packrat/][Packrat]].
** Getting the list of installed packages and their version *** Getting the list of installed packages and their version
Finally, it is good to know that there is a built-in R command Finally, it is good to know that there is a built-in R command
(=installed.packages=) allowing to retrieve and list the details of all (=installed.packages=) allowing to retrieve and list the details of all
packages installed. packages installed.
...@@ -384,12 +503,12 @@ head(installed.packages()) ...@@ -384,12 +503,12 @@ head(installed.packages())
| StanHeaders | /home/alegrand/R/x86_64-pc-linux-gnu-library/3.5 | 2.17.2 | nil | nil | nil | nil | RcppEigen, BH | nil | BSD_3_clause + file LICENSE | nil | nil | nil | nil | yes | 3.5.1 | | | StanHeaders | /home/alegrand/R/x86_64-pc-linux-gnu-library/3.5 | 2.17.2 | nil | nil | nil | nil | RcppEigen, BH | nil | BSD_3_clause + file LICENSE | nil | nil | nil | nil | yes | 3.5.1 | |
| acepack | /home/alegrand/R/x86_64-pc-linux-gnu-library/3.5 | 1.4.1 | nil | nil | nil | nil | testthat | nil | MIT + file LICENSE | nil | nil | nil | nil | yes | 3.5.1 | | | acepack | /home/alegrand/R/x86_64-pc-linux-gnu-library/3.5 | 1.4.1 | nil | nil | nil | nil | testthat | nil | MIT + file LICENSE | nil | nil | nil | nil | yes | 3.5.1 | |
** Installing a new package or a specific version *** Installing a new package or a specific version
This section is mostly a cut and paste from the [[https://support.rstudio.com/hc/en-us/articles/219949047-Installing-older-versions-of-packages][recent post by Ian This section is mostly a cut and paste from the [[https://support.rstudio.com/hc/en-us/articles/219949047-Installing-older-versions-of-packages][recent post by Ian
Pylvainen]] on this topic. It comprises a very clear explanation on how Pylvainen]] on this topic. It comprises a very clear explanation on how
to proceed. to proceed.
*** Installing a pre-compiled version **** Installing a pre-compiled version
If you're on a Debian or a Ubuntu system, it may be difficult to If you're on a Debian or a Ubuntu system, it may be difficult to
access a specific version without breaking your system. So unless you access a specific version without breaking your system. So unless you
are moving to the latest version available in your Linux distribution, are moving to the latest version available in your Linux distribution,
...@@ -406,7 +525,7 @@ similar to the example below: ...@@ -406,7 +525,7 @@ similar to the example below:
packageurl <- "https://cran-archive.r-project.org/bin/windows/contrib/2.13/BBmisc_1.0-58.zip" packageurl <- "https://cran-archive.r-project.org/bin/windows/contrib/2.13/BBmisc_1.0-58.zip"
install.packages(packageurl, repos=NULL, type="binary") install.packages(packageurl, repos=NULL, type="binary")
#+end_src #+end_src
*** Using devtools **** Using devtools
The simplest method to install the version you need is to use the The simplest method to install the version you need is to use the
=install_version()= function of the =devtools= package (obviously, you =install_version()= function of the =devtools= package (obviously, you
need to install =devtools= first, which can be done by running in =R= the need to install =devtools= first, which can be done by running in =R= the
...@@ -416,7 +535,7 @@ command =install.packages("devtools")=). For instance: ...@@ -416,7 +535,7 @@ command =install.packages("devtools")=). For instance:
require(devtools) require(devtools)
install_version("ggplot2", version = "0.9.1", repos = "http://cran.us.r-project.org") install_version("ggplot2", version = "0.9.1", repos = "http://cran.us.r-project.org")
#+end_src #+end_src
*** Alternatively, you may want to install an older package from source **** Alternatively, you may want to install an older package from source
If you devtools fails or if you do not want to depend on it, you can If you devtools fails or if you do not want to depend on it, you can
install it from source via =install.packages()= directed to the right install it from source via =install.packages()= directed to the right
URL. This URL can be obtained by browsing the [[https://cran.r-project.org/src/contrib/Archive][CRAN Package Archive]]. URL. This URL can be obtained by browsing the [[https://cran.r-project.org/src/contrib/Archive][CRAN Package Archive]].
...@@ -434,7 +553,7 @@ line outside of R. For instance (in bash): ...@@ -434,7 +553,7 @@ line outside of R. For instance (in bash):
wget http://cran.r-project.org/src/contrib/Archive/ggplot2/ggplot2_0.9.1.tar.gz wget http://cran.r-project.org/src/contrib/Archive/ggplot2/ggplot2_0.9.1.tar.gz
R CMD INSTALL ggplot2_0.9.1.tar.gz R CMD INSTALL ggplot2_0.9.1.tar.gz
#+end_src #+end_src
*** Potential issues **** Potential issues
There are a few potential issues that may arise with installing older There are a few potential issues that may arise with installing older
versions of packages: versions of packages:
- You may be losing functionality or bug fixes that are only present - You may be losing functionality or bug fixes that are only present
......
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