Commit f522e4b6 authored by Markus Scheidgen's avatar Markus Scheidgen
Browse files

Merge branch 'v0.8.2' into 'master'

0.8.2 release

See merge request !134
parents 04f1385a e02dd4cf
Pipeline #78750 passed with stages
in 10 minutes and 9 seconds
......@@ -143,19 +143,20 @@ release:
- docker pull $TEST_IMAGE
- docker tag $TEST_IMAGE $LATEST_IMAGE
- docker push $LATEST_IMAGE
except:
- /^dev-.*$/
when: manual
only:
- branches
release_version:
stage: release
script:
- docker login -u gitlab-ci-token -p $CI_BUILD_TOKEN gitlab-registry.mpcdf.mpg.de
- docker pull $LATEST_IMAGE
- docker tag $LATEST_IMAGE $CI_COMMIT_TAG
- docker tag $LATEST_IMAGE $STABLE_IMAGE
- docker pull $TEST_IMAGE
- docker tag $TEST_IMAGE $LATEST_IMAGE
- docker push $LATEST_IMAGE
- docker tag $TEST_IMAGE $STABLE_IMAGE
- docker push $STABLE_IMAGE
- docker push $CI_COMMIT_TAG
only:
- tags
[submodule "dependencies/nomad-meta-info"]
path = dependencies/nomad-meta-info
url = https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-meta-info.git
branch = nomad-fair
[submodule "dependencies/python_common"]
path = dependencies/python_common
url = https://gitlab.mpcdf.mpg.de/nomad-lab/python-common.git
......@@ -12,7 +8,7 @@
branch = nomad-fair
[submodule "dependencies/parsers/exciting"]
path = dependencies/parsers/exciting
url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-exciting.git
url = https://gitlab.mpcdf.mpg.de/nomad-lab/parser-exciting-fairdi.git
branch = nomad-fair
[submodule "dependencies/parsers/fhi-aims"]
path = dependencies/parsers/fhi-aims
......
......@@ -106,26 +106,23 @@ WORKDIR /app
# transfer installed packages from dependency stage
COPY --from=build /usr/local/lib/python3.7/site-packages /usr/local/lib/python3.7/site-packages
RUN echo "copy 1"
# copy the meta-info, since it files are loaded via relative paths. TODO that should change.
COPY --from=build /install/dependencies/nomad-meta-info /app/dependencies/nomad-meta-info
RUN echo "copy 2"
# copy the documentation, its files will be served by the API
COPY --from=build /install/docs/.build /app/docs/.build
RUN echo "copy 3"
RUN echo "copy 2"
# copy the source distribution, its files will be served by the API
COPY --from=build /install/dist /app/dist
RUN echo "copy 4"
RUN echo "copy 3"
# copy the nomad command
COPY --from=build /usr/local/bin/nomad /usr/bin/nomad
RUN echo "copy 5"
RUN echo "copy 4"
# copy the gui
RUN mkdir -p /app/gui
COPY --from=gui_build /app/build /app/gui/build
RUN echo "copy 6"
RUN echo "copy 5"
# copy the encyclopedia gui production code
COPY --from=gui_build /encyclopedia /app/dependencies/encyclopedia-gui/client
RUN rm -rf /app/dependencies/encyclopedia-gui/client/src
RUN echo "copy 7"
RUN echo "copy 6"
RUN mkdir -p /app/.volumes/fs
RUN useradd -ms /bin/bash nomad
......
......@@ -37,7 +37,7 @@ nomad parse --show-backend <your-file-to-parse>
### For NOMAD developer
Read the [docs](https://repository.nomad-coe.eu/app/docs). The documentation is also part
Read the [docs](https://repository.nomad-coe.eu/app/docs/index.html). The documentation is also part
of the source code. It covers aspects like introduction, architecture, development setup/deployment,
contributing, and API reference.
......
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API(s) Documentation
API Reference
====================
This is just a brief summary of all API endpoints of the NOMAD API. For a more compelling documention
......
......@@ -69,10 +69,24 @@ identified an entry (given via a `upload_id`/`calc_id`, see the query output), a
you want to download it:
```
curl "http://repository.nomad-coe.eu/app/api/raw/calc/f0KQE2aiSz2KRE47QtoZtw/6xe9fZ9xoxBYZOq5lTt8JMgPa3gX/*" -o download.zip
curl "http://repository.nomad-coe.eu/app/api/raw/calc/JvdvikbhQp673R4ucwQgiA/k-ckeQ73sflE6GDA80L132VCWp1z/*" -o download.zip
```
This basically requests all the files (`*`) that belong to this entry. If you have a query
With `*` you basically requests all the files under an entry or path..
If you need a specific file (that you already know) of that calculation:
```
curl "http://repository.nomad-coe.eu/app/api/raw/calc/JvdvikbhQp673R4ucwQgiA/k-ckeQ73sflE6GDA80L132VCWp1z/INFO.OUT"
```
You can also download a specific file from the upload (given a `upload_id`), if you know
the path of that file:
```
curl "http://repository.nomad-coe.eu/app/api/raw/JvdvikbhQp673R4ucwQgiA/exciting_basis_set_error_study/monomers_expanded_k8_rgkmax_080_PBE/72_Hf/INFO.OUT"
```
If you have a query
that is more selective, you can also download all results. Here all compounds that only
consist of Si, O, bulk material simulations of cubic systems (currently ~100 entries):
......
.. _access-the-archive-label:
Accessing the Archive
=====================
Using the NOMAD Archive
=======================
Of course, you can access the NOMAD Archive directly via the NOMAD API (see the `API tutorial <api_tutorial.html>`_
and `API reference <api.html>`_). But, it is more effective and convenient to use NOMAD's Python client
......
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......@@ -5,14 +5,16 @@ We release the NOMAD client library as a Python `distutils <https://docs.python.
You can download and install it the usual way using *pip* (or *conda*).
Install from pypi
.. code-block:: sh
pip install nomad-lab
Download and install latest release from nomad
.. code-block:: sh
curl https://repository.nomad-coe.eu/v0.8/dist/nomad-lab.tar.gz -o nomad-lab.tar.gz
curl https://repository.nomad-coe.eu/app/dist/nomad-lab.tar.gz -o nomad-lab.tar.gz
pip install ./nomad-lab.tar.gz
There are different layers of dependencies that you have to install, in order to use
......
......@@ -25,8 +25,8 @@ sys.path.insert(0, os.path.abspath('..'))
# -- Project information -----------------------------------------------------
project = 'nomad-FAIRDI'
copyright = '2018, FAIRDI e.V.'
project = 'NOMAD Repository and Archive'
copyright = '2014-2020, FAIRDI e.V.'
author = 'FAIRDI e.V.'
# The short X.Y version
......@@ -200,4 +200,4 @@ def setup(app):
# }, True)
# app.add_transform(AutoStructify)
extlinks = {'api': ('https://repository.nomad-coe.eu/v0.8/api/%s', 'NOMAD API ')}
\ No newline at end of file
extlinks = {'api': ('https://repository.nomad-coe.eu/app/api/%s', 'NOMAD API ')}
\ No newline at end of file
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