Working on LaTeX headers
This commit is contained in:
parent
b3515117a1
commit
2b7d4877c3
154
dmp.org
154
dmp.org
@ -1,7 +1,22 @@
|
||||
#+TITLE: ERC PTEROSOR : Data Management Plan
|
||||
#+AUTHOR: A. Scemama, P.-F. Loos
|
||||
#+DATE: 2020-06-05
|
||||
# -*- mode: org; org-confirm-babel-evaluate: nil; org-babel-noweb-wrap-start: "«"; org-babel-noweb-wrap-end: "»"; -*-
|
||||
|
||||
#+TITLE: ERC PTEROSOR
|
||||
#+SUBTITLE: Data Management Plan
|
||||
#+AUTHOR: A. Scemama, P.-F. Loos
|
||||
#+EMAIL: scemama@irsamc.ups-tlse.fr
|
||||
#+DATE: \today
|
||||
#+LANGUAGE: English
|
||||
#+EXPORT_FILE_NAME: DMP-PTEROSOR.pdf
|
||||
#+LATEX_CLASS: revtex4-1
|
||||
#+LATEX_CLASS_OPTIONS: aip,jcp,showkeys
|
||||
#+LATEX_HEADER: \usepackage{mathpazo,hyperref,amssymb}
|
||||
#+LATEX_HEADER_EXTRA:
|
||||
#+DESCRIPTION: Org-mode document for LaTeX export
|
||||
#+KEYWORDS: Software, Notebooks, Publications, Presentations
|
||||
#+LATEX_COMPILER: pdflatex
|
||||
#+OPTIONS: tags:t tasks:t tex:t timestamp:t toc:nil todo:t |:t
|
||||
#+SELECT_TAGS: export
|
||||
#+EXCLUDE_TAGS: noexport nolatex
|
||||
|
||||
* Project details
|
||||
|
||||
@ -37,23 +52,13 @@ PT-symmetric regions.
|
||||
1. QuAcK (Software)
|
||||
2. Quantum Package (Software)
|
||||
3. Notebooks (Interactive Resource)
|
||||
4. Publications (Text)
|
||||
4. Textual data (Text)
|
||||
|
||||
|
||||
|
||||
* QuAcK
|
||||
|
||||
** Dataset summary
|
||||
#+BEGIN_EXAMPLE
|
||||
This should include:
|
||||
|
||||
dataset reference and name
|
||||
|
||||
origin and expected size of the data generated/collected
|
||||
|
||||
data types and formats
|
||||
#+END_EXAMPLE
|
||||
|
||||
|
||||
QuAcK is a small quantum chemistry package written in Fortran by the
|
||||
coordinator of the project. It is mostly used for prototyping.
|
||||
@ -72,15 +77,30 @@ This should include:
|
||||
source files, Python, Bash scripts, Makefiles and standard atomic
|
||||
basis sets and pseudo-potentials.
|
||||
|
||||
All along the project, Mathematica / Jupyter / Org-mode notebooks will
|
||||
be produced by researchers and students. Each notebook will take a
|
||||
few megabytes.
|
||||
|
||||
PDF files for reports, publications, presentations and posters will
|
||||
be produced in this project. Each pdf file will take a few megabytes.
|
||||
Care will be taken to maintain the size of these documents as small
|
||||
as possible.
|
||||
|
||||
*** Guidelines :noexport:
|
||||
This should include:
|
||||
|
||||
dataset reference and name
|
||||
|
||||
origin and expected size of the data generated/collected
|
||||
|
||||
data types and formats
|
||||
|
||||
|
||||
|
||||
|
||||
** FAIR data and resources
|
||||
|
||||
*** Making data findable
|
||||
#+BEGIN_EXAMPLE
|
||||
This should consider the dataset description: metadata, persistent
|
||||
and unique identifiers e.g., DOI
|
||||
#+END_EXAMPLE
|
||||
|
||||
QuAcK is hosted on GitHub (https://github.com/pfloos/quack), with a
|
||||
mirror on the Git repository of the LCPQ
|
||||
@ -103,17 +123,28 @@ and unique identifiers e.g., DOI
|
||||
(https://www.youtube.com/channel/UC3a7Yakg9gk36G3HKDIFaYw). Quantum
|
||||
Package has also a twitter account (=@quantum_package=).
|
||||
|
||||
All the notebooks will be versioned in the Git repository of the LCPQ
|
||||
(https://git.irsamc.ups-tlse.fr), publicly accessible.
|
||||
These documents will be archived on Figshare, and the DOIs will be
|
||||
provided in publications.
|
||||
|
||||
The LaTeX source files relative to reports, publications,
|
||||
presentations and posters will be versioned in the Git repository
|
||||
of the LCPQ, publicly accessible.
|
||||
|
||||
We plan to submit all the source codes involved in this project to
|
||||
the [[https://www.softwareheritage.org][Software Heritage]] archive.
|
||||
|
||||
A web site for the project will be created, centralizing all the
|
||||
links to the archived data. Care will be taken to provide useful
|
||||
metadata in the HTML headers to help the search engines reference
|
||||
this web site.
|
||||
|
||||
**** Guidelines :noexport:
|
||||
This should consider the dataset description: metadata, persistent
|
||||
and unique identifiers e.g., DOI
|
||||
|
||||
*** Making data openly accessible
|
||||
#+BEGIN_EXAMPLE
|
||||
* Which data will be made openly available and if some datasets remain closed,
|
||||
the reasons for not giving access?
|
||||
* Where the data and associated metadata, documentation and code are deposited
|
||||
(which repository)?
|
||||
* How the data can be accessed? Are relevant software tools/methods provided?
|
||||
#+END_EXAMPLE
|
||||
|
||||
QuAcK is released under the GPL v3 license.
|
||||
Quantum Package is released under the AGPL v3 license.
|
||||
@ -125,12 +156,15 @@ and unique identifiers e.g., DOI
|
||||
|
||||
The project doesn't require any part of the codes to be closed.
|
||||
|
||||
*** Making data interoperable
|
||||
#+BEGIN_EXAMPLE
|
||||
Which standard or field-specific data and metadata vocabularies
|
||||
and methods will be used?
|
||||
#+END_EXAMPLE
|
||||
**** Guidelines :noexport:
|
||||
* Which data will be made openly available and if some datasets remain closed,
|
||||
the reasons for not giving access?
|
||||
* Where the data and associated metadata, documentation and code are deposited
|
||||
(which repository)?
|
||||
* How the data can be accessed? Are relevant software tools/methods provided?
|
||||
|
||||
|
||||
*** Making data interoperable
|
||||
QuAcK operates internally with text files.
|
||||
|
||||
Standard =xyz= format is used for atomic coordinates and =GAMESS/US=
|
||||
@ -138,14 +172,12 @@ and unique identifiers e.g., DOI
|
||||
website (https://www.basissetexchange.org) provides data in this
|
||||
format.
|
||||
|
||||
**** Guidelines :noexport:
|
||||
Which standard or field-specific data and metadata vocabularies
|
||||
and methods will be used?
|
||||
|
||||
|
||||
*** Increase data reuse
|
||||
#+BEGIN_EXAMPLE
|
||||
* What data will remain re-usable and for how long?
|
||||
* Is embargo foreseen?
|
||||
* How the data is licensed?
|
||||
* Any data quality assurance procedures?
|
||||
#+END_EXAMPLE
|
||||
|
||||
Along the project, the code will be structured in independent
|
||||
inter-operating components to make easier the extraction of a
|
||||
@ -155,15 +187,13 @@ and unique identifiers e.g., DOI
|
||||
functional in the main branch. Developments will be made in a
|
||||
secondary development branch.
|
||||
|
||||
**** Guidelines :noexport:
|
||||
* What data will remain re-usable and for how long?
|
||||
* Is embargo foreseen?
|
||||
* How the data is licensed?
|
||||
* Any data quality assurance procedures?
|
||||
|
||||
*** Allocation of resources and data security
|
||||
#+BEGIN_EXAMPLE
|
||||
* Estimated costs for making the project data open access and potential value
|
||||
of long-term data preservation.
|
||||
* Procedures for data backup and recovery.
|
||||
* Transfer of sensitive data and secure storage in repositories for long term
|
||||
preservation and curation.
|
||||
#+END_EXAMPLE
|
||||
|
||||
The mirroring of the GitHub repository in the institute of the
|
||||
coordinator provides a backup.
|
||||
@ -174,36 +204,14 @@ and unique identifiers e.g., DOI
|
||||
We also plan to upload the code in the Software Heritage digital
|
||||
archive.
|
||||
|
||||
|
||||
|
||||
** Quantum Package
|
||||
|
||||
Quantum Package is an open-source quantum chemistry package for
|
||||
performing selected configuration interaction calculations. It is
|
||||
developed on three sites : Toulouse (LCPQ), Paris (LCT) and Argonne
|
||||
(USA).
|
||||
|
||||
The code is under the AGPL v3 license and is hosted on GitHub
|
||||
(https://github.com/QuantumPackage/qp2), with a mirror on the Git
|
||||
repository of the institute of the coordinator of the project
|
||||
(https://git.irsamc.ups-tlse.fr/LCPQ/qp2).
|
||||
|
||||
The latest version was uploaded on Zenodo
|
||||
(doi:10.5281/zenodo.3677565), and the GitHub repository is set up to
|
||||
automatically upload on Zenodo every new release. For each publication
|
||||
requiring a modification of Quantum Package, a release will be made
|
||||
and the zenodo DOI will be cited.
|
||||
|
||||
|
||||
** Notebooks
|
||||
|
||||
All along the project, Mathematica / Jupyter / Org-mode notebooks will
|
||||
be produced. All this data will be versioned in the Git repository of
|
||||
the LCPQ (https://git.irsamc.ups-tlse.fr),
|
||||
publicly accessible. All the notebooks will be archived on Zenodo, and
|
||||
the DOIs will be provided in publications.
|
||||
|
||||
** Publications
|
||||
**** Guidelines :noexport:
|
||||
* Estimated costs for making the project data open access and potential value
|
||||
of long-term data preservation.
|
||||
* Procedures for data backup and recovery.
|
||||
* Transfer of sensitive data and secure storage in repositories for long term
|
||||
preservation and curation.
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
Loading…
Reference in New Issue
Block a user