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nomad-lab
nomad-FAIR
Commits
e635d19f
Commit
e635d19f
authored
Jul 01, 2020
by
Markus Scheidgen
Browse files
Fixed dev setup and install issues for nomad-lab.
parent
06f7d9e4
Pipeline
#77647
failed with stages
in 23 minutes and 36 seconds
Changes
20
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.gitlab-ci.yml
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e635d19f
...
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@@ -112,6 +112,14 @@ install_tests:
-
pip install `echo dist/nomad-lab-*.tar.gz`[parsing]
-
python -m nomad.cli parse tests/data/parsers/vasp/vasp.xml
dev_setup_tests
:
stage
:
test
image
:
python:3.7
script
:
-
pip install --upgrade pip
-
./setup.sh
-
python -m nomad.cli parse tests/data/parsers/vasp/vasp.xml
deploy
:
stage
:
deploy
before_script
:
...
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README.md
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@@ -26,12 +26,12 @@ You can install the `nomad` Python package from source distribution with pip. Pl
note, that this will only install part of NOMAD's dependencies that will only allow
your to use NOMAD's client library, e.g. to access the NOMAD Archive.
```
pip install nomad
--extra-index-url https://repository.nomad-coe.eu/v0.8/dist
pip install nomad
```
To
**use the NOMAD parsers for example**
, install the
`parsing`
extra:
```
pip install nomad[parsing]
--extra-index-url https://repository.nomad-coe.eu/v0.8/dist
pip install nomad[parsing]
nomad parse --show-backend <your-file-to-parse>
```
...
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dependencies-git.sh
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@@ -15,7 +15,9 @@ git config -f .gitmodules --get-regexp '^submodule\..*\.path$' |
echo
"
$path
is not clean"
git stash
git checkout nomad-fair-metainfo
git stash apply
&&
git add
-A
&&
git commit
-a
-m
"
$1
"
git stash apply
git add
-A
git commit
-a
-m
"
$1
"
git push origin nomad-fair-metainfo
fi
done
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docs/client/install.rst
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@@ -5,12 +5,12 @@ 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
..
parsed-literal::
..
code-block:: sh
pip install nomad-lab
Download and install latest release from nomad
..
parsed-literal::
..
code-block:: sh
curl https://repository.nomad-coe.eu/v0.8/dist/nomad-lab.tar.gz -o nomad-lab.tar.gz
pip install ./nomad-lab.tar.gz
...
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@@ -24,14 +24,16 @@ Other functions, e.g. using the NOMAD parsers to parse your code output, require
additional dependencies. You can use the ``[extra]`` notation to install these extra
requirements:
..
parsed-literal::
..
code-block:: sh
pip install nomad-lab[parsing]
pip install nomad-lab[infrastructure]
pip install nomad-lab[dev]
pip install nomad-lab[all]
The various *extras* have the following meaning:
- ``parsing``, everything necessary to run the parsers
- ``infrastructure``, everything to run NOMAD services
- ``dev``, additional tools that are necessary to develop NOMAD
- ``all``, all of the above
docs/dev/setup.md
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@@ -80,7 +80,14 @@ To install libmagick for conda, you can use (other channels might also work):
conda -c conda-forge install --name nomad_env libmagic
```
The next steps can be done using the
`setup.sh`
script. If you prefere to understand all
#### pip
Make sure you have the most recent version of pip:
```
pip install --upgrade pip
```
The next steps can be done using the
`setup.sh`
script. If you prefer to understand all
the steps and run them manually, read on:
...
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setup.py
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@@ -25,7 +25,7 @@ import fastentrypoints # pylint: disable=unused-import
'''
This setup.py works differently for creating a distribution than installing for
development. The idea is that for distributions, we compile the requirements, packages, and
data files from all dependencies and install everything under one package called 'nomad'.
data files from all dependencies and install everything under one package called 'nomad
-lab
'.
For development we install each dependency as its own project. This is mainly due to
pip's limitation of not being able to install from multiple source folders in develop
mode.
...
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setup.sh
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@@ -3,7 +3,6 @@
set
-e
git submodule
sync
git submodule update
--init
pip
install
-r
requirements.txt
git submodule update
--init
--jobs
=
4
./dependencies.sh
-e
pip
install
-e
.
\ No newline at end of file
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