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  • NOMAD software and source code release

Last edited by Scheidgen, Markus (mscheidg) Apr 24, 2018
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NOMAD software and source code release

This is an automatically created page. Please do not edit this page.

NOMAD software and source code release

This page tracks the progress of all relevant NOMAD software projects towards public source code release as Open Source and APACHE 2.0 licensed software.

Purpose of the source code release

We as the NOMAD CoE want to make our work available for 3rd parties to use. This means that 3rd parties need to access, understand, and are legally allowed to use our work in the broadest possible context. This means we have to make our source code publicly available, clean it up, and license the use of it.

ALLOW OTHERS TO USE YOUR HARD WORK, LET IT LIVE ON, DON'T LET IT DIE IN VAIN.

What source code is going to be released

The basic assumption is that all NOMAD code is on this GITLab (gitlab.rzg.mpg.de). The list at the bottom list all GITLab projects of the NOMAD organisation. Not all projects are necessary for 3rd parties to make use of NOMAD (hackatons, forks, coordination projects, etc.). We will remove unnecessary projects when they are identified.

Who is responsible

Short answer: You should know if you are responsible for a source code project. Its hard for us to point fingers to specific people due to the ad-hoc nature of the GITLab use. The list below shows the owners, masters, developers of each project, if this information was available. The list also shows the main authors of recent commits. So if you find yourself in this list, please feel responsible.

When must this be done

We already have request from people that want to use NOMAD software. This is also relevant to proof NOMAD's success for the next proposal. These are simple steps there is not reason for postponing them. Do them as soon as possible and within the next weeks.

How to release your source code

This is much simpler than it sounds. There are 5 simple steps that you have to take

  1. Identify relevant projects
  2. Apply a license to your code
  3. Clean up your code
  4. Document your code
  5. Make your code publicly available

There will be (or already is) an issue called "Source code release" in each GITLab project. You can use this for the following things

  1. Comment to ask questions that are specific to your project
  2. Comment to state that this project should not be made public, since it is not a vital part of the overall NOMAD software
  3. Comment to state that you have to use a different license than Apache 2.0
  4. Close the issue to state that the process has been completed.

Add the license

You MUST add a LICENSE file at the top level of each of your GITLab projects. To apply the Apache 2.0 license (the default NOMAD has chosen) use this file:

http://apache.org/licenses/LICENSE-2.0.txt

If you interact much with code that has another license, note that you can choose to use another compatible license:

https://www.apache.org/legal/resolved.html#category-a

Licenses outside that list should be used only with a very good reason. Please comment your projects source release issue if you have to diverge from the Apache 2.0 license.

You SHOULD claim your copyright.

All source code files should have the following header (python example) as the very first thing in them. Replace the [] accordingly. Only legal names of individual authors or institutions are allowed. Please do not use NOMAD developer group as it was suggested before.

 # Copyright 2016-2018 [A comma separated list of full author names without the brackets]
 #
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
 # You may obtain a copy of the License at
 #
 #     http://www.apache.org/licenses/LICENSE-2.0
 #
 # Unless required by applicable law or agreed to in writing, software
 # distributed under the License is distributed on an "AS IS" BASIS,
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.

You can adapt this for the comment format of other source code languages.

clean up you code

You SHOULD clean up your code and make it something you are proud to show.

For Python, flake8 (or pylint) can help standardising the code. We do not require all things they check, in particular I would definitely relax the maximum line length limit, and probably also the variable naming. If someone is interested in tuning them and making them automatic would be welcome.

You MUST remove all private items (e.g. tokens, keys, other cryptographic information).

Document your code

You SHOULD document your code where appropriate.

You MUST write a brief README file. Markdown (README.md) is the canonical format choice. The README should explain the purpose of your code, the context it is supposed to be used in, any requirements for using it, and how it can be used.

Make your code publicly available

You MUST make your code publicly available. The gitlab.rzg.mpg.de is a public source code hosting service. You just have to make your project public (instead of private or internal).

There are some issues with GITLab that might prohibit you from changing the visibility of your project(s). Please leave a comment in you project's issue that states if this project should be part of NOMAD's public source base. You can try the following, although it might not work:

Use the settings section of your project on GITLab to achieve this (settings / general / permissions / public visibility).

The list of all projects in the GITLab organisation NOMAD

Explanations

The user row shows GITLab users associated with the project. It shows either owner, masters, or developers depending of whats there. Not all projects actually have members.

The committer row shows the top 3 authors of the last 100 commits. These are not GITLab users, but the names used during commit git. These names depend on how you setup your local git command.

The rows on READMEs and LICENSEs show if there are respective files (with no, ".md", or ".txt" ending) in the master branch. The numbers behind READMEs and LICENSEs are the size of the respective file in bytes.

The commits row refers to the total number of commits in the repository.

The issue row gives a link to the tracking issue and its current state.

project user committer license readme visibility #commits issue
REPOSITORY-ARCHIVE
nomad-lab-base Kariryaa, Ankit (ankar) [master], Simoes Brambila, Danilo (brambila) [master], Alexandrov, Alexander (aalexand) [master] Arvid Ihrig [68], Berk Onat [28], Adam Fekete [2] YES [11525] NO private 1858 opened
NomadRepositoryGUI-2 Zastrow, Thomas (thomz) [master] Binyam Gebrekidan Gebre [31], Gebre, Binyam Gebrekidan (bgg) [21], thomz [1] NO NO internal 53 opened
nomad-meta-info Mohamed, Fawzi Roberto (fawzi) [master] Arvid Ihrig [32], Berk Onat [25], lopa [12] NO NO public 1136 opened
workflow Simoes Brambila, Danilo (brambila) [master], Shin, Jungho (jungho) [master], Mohamed, Fawzi Roberto (fawzi) [master] Sastre, Alfonso (asastre) [17] NO YES [5086] internal 17 opened
ENCYCLOPEDIA
encyclopedia-gui Huhs, Georg (ghuhs) [master], Hurtado, Iker (ikerh) [master], Vancea, Ioan (ivancea) [master] Hurtado, Iker (ikerh) [88], Vancea, Ioan (ivancea) [11], Lauri Himanen [1] NO NO internal 315 opened
encyclopedia-infrastructure Vancea, Ioan (ivancea) [master], Scheidgen, Markus (mscheidg) [master] Vancea, Ioan (ivancea) [94], Markus Scheidgen [6] NO YES [813] private 145 opened
encyclopedia-physics-engine Vancea, Ioan (ivancea) [master] Vancea, Ioan (ivancea) [100] NO YES [1862] internal 248 opened
encyclopedia-pre-processing Glawe, Henning (heng) [master], Vancea, Ioan (ivancea) [master], Himanen, Lauri (himanel1) [master] Markus Scheidgen [56], Georg Huhs [39], Lauri Himanen [4] YES [11358] YES [18642] internal 2028 opened
encyclopedia-documentation Vancea, Ioan (ivancea) [master], Scheidgen, Markus (mscheidg) [master] NO NO private NONE opened
ANALYTICS
nomad-notebook-base Rupp, Matthias (mrupp) [developer], Ghiringhelli, Luca Massimiliano (lucamghi) [developer] Ankit Kariryaa [32], Fawzi Mohamed [12], ankit kariryaa [8] NO NO private 55 opened
nomad-frontend Fawzi Mohamed [5], Tomster [1] NO YES [1347] private 6 opened
notebook-nomad-query Benjamin Regler [master] Benjamin Regler [16] YES [11357] YES [7595] internal 11 opened
container-manager Fawzi Mohamed [56], Ankit Kariryaa [28], Yazid [12] NO NO private 99 opened
analytics-support-api Lucas Deecke [master] Lucas Deecke [16], Fawzi Mohamed [12] NO YES [111] private 28 opened
analytics-toolkit-tutorials Sven Lubeck [developer] Angelo Ziletti [24], Fawzi Mohamed [17], Luca Ghiringhelli [10] NO NO private 172 opened
analytics-tools-forcefield Stella, Martina (stmar) [master], Fekete, Adam (afekete) [master] Adam Fekete [23], Ádám Fekete [2] NO YES [1782] private 25 opened
qmmlpack Matthias Rupp [98], Rupp, Matthias (mrupp) [2] YES [555] YES [1329] private 127 opened
sis-sa
soap-plus-plus Poelking, Carl (pocar) [master] Carl Poelking [76], capoe [21], GitHub [3] NO YES [252] private 121 opened
PARSERS
python-common Berk Onat [40], Lauri Himanen [28], Fawzi Mohamed [13] NO YES [1017] public 427 opened
parser-abinit Oliveira, Micael (micael) [master], Glawe, Henning (heng) [master] micaeljtoliveira [36], Micael Oliveira [31], Fawzi Mohamed [2] YES [11358] YES [318] public 71 closed
parser-amber Berk Onat [master], Kermode, James (kjame) [master] Berk Onat [40], Fawzi Mohamed [1] YES [11339] YES [1356] private 41 opened
parser-asap Strange, Mikkel (smikk) [master] Mikkel Strange [23], Fawzi Mohamed [5], Mohamed, Fawzi Roberto (fawzi) [2] NO YES [302] public 30 opened
parser-atk Strange, Mikkel (smikk) [master] Mikkel Strange [23], Fawzi Mohamed [4], Mohamed, Fawzi Roberto (fawzi) [1] NO YES [295] public 28 opened
parser-atomic-data Benjamin Regler [master] Benjamin Regler [16], Fawzi Mohamed [1] YES [1309] YES [8586] internal 17 opened
parser-big-dft Kivistö, Sami Kristian (skkivist) [master], Himanen, Lauri (himanel1) [master] Lauri Himanen [15], Fawzi Mohamed [3], Mohamed, Fawzi Roberto (fawzi) [1] NO YES [1262] private 19 opened
parser-castep Stella, Martina (stmar) [master] Martina Stella [49], martina stella [44], Fawzi Mohamed [5] NO YES [1260] public 250 opened
parser-cp2k Himanen, Lauri (himanel1) [master] Lauri Himanen [50], Himanen, Lauri (himanel1) [40], Fawzi Mohamed [6] NO YES [2522] public 192 opened
parser-cpmd Himanen, Lauri (himanel1) [master] Lauri Himanen [29], Fawzi Mohamed [2], ankit kariryaa [1] NO YES [1248] public 33 opened
parser-crystal Himanen, Lauri (himanel1) [master] Sami Kivistö [19], Lauri Himanen [11], Fawzi Mohamed [7] NO YES [1276] public 44 opened
parser-dftb-plus Adriel Dominguez [master] Fawzi Mohamed [6], Adriel Domínguez [5], Mohamed, Fawzi Roberto (fawzi) [3] NO YES [276] public 14 opened
parser-dl-poly Poelking, Carl (pocar) [master] Carl Poelking [14], Fawzi Mohamed [12], ankit kariryaa [6] NO YES [618] public 36 opened
parser-dmol3 Shang, Honghui (hosha) [master] Fawzi Mohamed [10], Honghui Shang [4], ankit kariryaa [3] NO YES [1480] public 17 opened
parser-elastic Pardini, Lorenzo (lopa) [master] lopa [21], Mohamed, Fawzi Roberto (fawzi) [3], Fawzi Mohamed [3] NO YES [318] private 26 opened
parser-elk Pardini, Lorenzo (lopa) [master] lopa [25], Fawzi Mohamed [5], Lauri Himanen [1] NO YES [298] private 32 opened
parser-exciting Pardini, Lorenzo (lopa) [master] lopa [89], Fawzi Mohamed [8], ankit kariryaa [2] NO YES [598] public 127 opened
parser-fhi-aims Franz Knuth [master] Franz Knuth [30], Fawzi Mohamed [29], Wael Chibani [16] NO YES [1939] public 140 opened
parser-fleur Tomecka, Daria M. (datom) [master] Daria Tomecka [20], Fawzi Mohamed [3], Daria M. Tomecka [1] NO YES [295] public 26 opened
parser-fplo Pardini, Lorenzo (lopa) [master], Tomecka, Daria M. (datom) [master] Henning Glawe [99], Fawzi Mohamed [1] NO YES [291] public 109 opened
parser-gamess Valero Montero, Rosendo (rvalero) [master] rosendo [11], Fawzi Mohamed [2], Rosendo Valero Montero [2] NO YES [311] public 18 opened
parser-gaussian Valero Montero, Rosendo (rvalero) [master] rosendo [21], Fawzi Mohamed [18], ankit kariryaa [9] NO YES [597] public 50 opened
parser-gpaw Strange, Mikkel (smikk) [master] Mikkel Strange [41], Fawzi Mohamed [20], ankit kariryaa [5] NO YES [584] public 77 opened
parser-gromacs Strange, Mikkel (smikk) [master], Berk Onat [master] Berk Onat [27], Mohamed, Fawzi Roberto (fawzi) [2], Fawzi Mohamed [1] YES [11339] YES [1270] private 30 opened
parser-gulp Larsen, Ask Hjorth (askhl) [master] Ask Hjorth Larsen [27], Fawzi Mohamed [4] YES [11358] YES [13] public 31 opened
parser-lammps Riello, Massimo (mriello) [master] Massimo Riello [53], Adam Fekete [33], Fawzi Mohamed [5] NO YES [1265] public 184 opened
parser-lib-atoms Poelking, Carl (pocar) [master] pocar [6], Fawzi Mohamed [2], Mohamed, Fawzi Roberto (fawzi) [2] NO YES [305] public 12 opened
parser-molcas Valero Montero, Rosendo (rvalero) [master] Ask Hjorth Larsen [20], Fawzi Mohamed [3], Ankit Kariryaa [1] YES [11358] YES [299] public 25 opened
parser-mopac Mortensen, Jens J. (jensj) [master] Mikkel Strange [17], Fawzi Mohamed [5], ankit kariryaa [4] NO YES [563] public 27 opened
parser-namd Berk Onat [master] Berk Onat [19], Fawzi Mohamed [1] YES [11339] YES [1264] private 20 opened
parser-nwchem Himanen, Lauri (himanel1) [master] Lauri Himanen [23], Fawzi Mohamed [1] NO YES [1267] public 24 opened
parser-octopus Larsen, Ask Hjorth (askhl) [master] Ask Hjorth Larsen [50], Fawzi Mohamed [9], ankit kariryaa [6] YES [11358] YES [630] public 66 opened
parser-onetep Mohamed, Fawzi Roberto (fawzi) [master], Stella, Martina (stmar) [master], Riello, Massimo (mriello) [master] Martina Stella [57], martina stella [15], Fawzi Mohamed [7] NO YES [903] public 80 opened
parser-orca Alarcon Villaseca, Sebastian (sebas81) [master] Sebastian Alarcon Villaseca [13], Sebastián Alarcón Villaseca [12], Fawzi Mohamed [8] NO YES [119] public 43 opened
parser-phonopy Kowalski, Hagen-Henrik (hagenhen) [master] henrik [33], Fawzi Mohamed [17], Danio Brambila [1] NO NO private 51 opened
parser-qbox Mohamed, Fawzi Roberto (fawzi) [master], Shang, Honghui (hosha) [master] Honghui Shang [12], Fawzi Mohamed [7], ankit kariryaa [4] NO YES [73] public 26 opened
parser-quantum-espresso Glawe, Henning (heng) [master] Henning Glawe [97], Glawe, Henning (heng) [2], Fawzi Mohamed [1] NO YES [645] public 667 opened
parser-quasi-harmonic-properties Kowalski, Hagen-Henrik (hagenhen) [master] henrik [14], Fawzi Mohamed [6], Danio Brambila [2] NO NO private 22 opened
parser-siesta Larsen, Ask Hjorth (askhl) [master] Ask Hjorth Larsen [45], Mohamed, Fawzi Roberto (fawzi) [2], Fawzi Mohamed [1] YES [11358] YES [330] public 48 opened
parser-smeagol Larsen, Ask Hjorth (askhl) [master] Ask Hjorth Larsen [1], Mohamed, Fawzi Roberto (fawzi) [1] NO YES [336] private 2 opened
parser-turbomole Ramakrishnan, Raghunathan (raghu) [master], Franz Knuth [master], Mazheika, Aliaksei (mazh) [master] Arvid Ihrig [99], Fawzi Mohamed [1] YES [11525] YES [603] public 173 opened
parser-vasp Fawzi Mohamed [48], Lauri Himanen [9], Danio Brambila [4] NO YES [1205] public 65 opened
parser-wien2k Tomecka, Daria M. (datom) [master] Daria Tomecka [38], Fawzi Mohamed [4], Tomecka, Daria M. (datom) [4] NO YES [298] public 51 opened
parser-tinker Berk Onat [master] Berk Onat [7] NO YES [1229] private 7 opened
parser-gromos Berk Onat [master] Berk Onat [17] YES [11339] YES [1232] private 17 opened
parser-charmm Berk Onat [master] Berk Onat [16] YES [11339] YES [2994] private 16 opened
parser-emto Smirnova, Ekaterina (katya) [master] Smirnova, Ekaterina (katya) [1] NO YES [237] private 1 opened
normalizer-band-structure Liu, Xiangyue (xyliu) [master] Fawzi Mohamed [5], Mohamed, Fawzi Roberto (fawzi) [1] NO YES [161] private 6 opened
normalizer-fhi-aims-basis Simoes Brambila, Danilo (brambila) [master] Fawzi Mohamed [7], Danio Brambila [5] NO NO private 12 opened
normalizer-prototypes Tomecka, Daria M. (datom) [master] Daria M. Tomecka [23], Fawzi Mohamed [4], Tomecka, Daria M. (datom) [2] NO YES [982] private 28 opened
normalizer-repo Shin, Jungho (jungho) [master], Simoes Brambila, Danilo (brambila) [master] Simoes Brambila, Danilo (brambila) [1] NO NO private 1 opened
normalizer-repo-tags Shin, Jungho (jungho) [master] Jungho Shin [17], Fawzi Mohamed [5], Shin, Jungho (jungho) [2] NO YES [28] private 24 opened
normalizer-springer Tomecka, Daria M. (datom) [master] Fawzi Mohamed [8], Daria M. Tomecka [7], Tomecka, Daria M. (datom) [7] NO YES [552] private 23 opened
normalizer-stats Fawzi Mohamed [7] NO YES [647] private 7 opened
normalizer-symmetry Himanen, Lauri (himanel1) [master] Lauri Himanen [9], Fawzi Mohamed [4], Mohamed, Fawzi Roberto (fawzi) [1] NO YES [628] private 14 opened
normalizer-system-type Arvid Ihrig [5], Fawzi Mohamed [3] NO NO private 8 opened
FORKS
passport-saml Peter Loer [65], Vartan Simonian [3], Ashima Athri [3] YES [1093] YES [11244] public 276 opened
h5py Andrew Collette [37], Aleksandar Jelenak [21], John Kirkham [7] NO NO public 1432 opened
phonopy Kowalski, Hagen-Henrik (hagenhen) [master] Atsushi Togo [64], P.T. Jochym [33], Fawzi Mohamed [2] NO YES [723] private 1647 opened
ANYTHING-ELSE
atomic-data Benjamin Regler [master] Benjamin Regler [19] YES [1309] YES [11201] internal 19 opened
atomic-metadata Ziletti, Angelo (ziang) [master], Gobre, Vivekanand (vigo) [master] Gobre, Vivekanand (vigo) [78], Vivekanand Gobre [15], Fawzi Mohamed [2] NO YES [4827] private 95 opened
nomad-emma-usecase Alexandrov, Alexander (aalexand) [master], Kunft, Andreas (akunft) [master] fschueler [44], Alexander Alexandrov [10] YES [11325] YES [191] private 54 opened
pymolfile Berk Onat [master] Berk Onat [83] YES [5906] YES [2319] public 83 opened
VR-demos Garcia-Hernandez, Ruben Jesus (rgarcia) [master] Garcia-Hernandez, Ruben Jesus (rgarcia) [75], Ruben Garcia Hernndez [15], LRZ Admin [2] YES [11339] YES [1792] public 96 closed
nomad-stats Yazid [70], Hamdi, Yazid (yhamdi) [14], Arvid Ihrig [5] NO YES [3486] internal 90 opened
nomad-lab-glossary Huhs, Georg (ghuhs) [2] NO YES [500] internal 2 opened
md_data_access Berk Onat [master] NO NO public NONE opened
nomad-idp Vathsavayi, Sri Harsha (sriv) [master] Vathsavayi, Sri Harsha (sriv) [3], Harsha [1] NO YES [4615] private 3 opened
magnet-project Tomecka, Daria M. (datom) [master] Tomecka, Daria M. (datom) [75] YES [593] YES [1123] private 75 opened
archive-webpage-shiny Sastre, Alfonso (asastre) [24] NO YES [850] private 24 opened
tutorial-delta-ml Larsen, Ask Hjorth (askhl) [master] Ask Hjorth Larsen [14], Larsen, Ask Hjorth (askhl) [1], Fawzi Mohamed [1] NO NO private 16 opened
analytics-dashboard Fawzi Mohamed [9], Ankit Kariryaa [9], Yazid [4] NO YES [1303] private 23 opened
springer-db-tools Tomecka, Daria M. (datom) [master] Daria M. Tomecka [3], Daria Tomecka [1] NO NO private 4 opened
creedo Kariryaa, Ankit (ankar) [master] NO NO private NONE opened
infrastructure Zastrow, Thomas (thomz) [developer] Sillanpaeae, Atte (asillanp) [4], Harsha [1] NO YES [516] internal 5 opened
sample-parser Fawzi Mohamed [3] NO YES [700] public 3 opened
support-general Berk Onat [master] Ankit Kariryaa [9], Fawzi Mohamed [3], Markus Scheidgen [1] NO YES [217] internal 14 opened
public-wiki Rampp, Markus (mjr) [developer], Hokkanen, Jyrki (jhokkane) [developer] Mohamed, Fawzi Roberto (fawzi) [1] NO YES [140] public 1 opened
sisso-docker-image Fawzi Mohamed [3] NO YES [82] private 3 opened
last change on 2018/04/24
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