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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
- Identify relevant projects
- Apply a license to your code
- Clean up your code
- Document your code
- 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
- Comment to ask questions that are specific to your project
- Comment to state that this project should not be made public, since it is not a vital part of the overall NOMAD software
- Comment to state that you have to use a different license than Apache 2.0
- 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 |