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nomad-lab
nomad-FAIR
Commits
c6418186
Commit
c6418186
authored
Jun 08, 2020
by
Markus Scheidgen
Browse files
Go to version v0.8.1.
parent
95c21b91
Pipeline
#76267
failed with stages
in 25 minutes and 51 seconds
Changes
11
Pipelines
1
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.gitlab-ci.yml
View file @
c6418186
...
...
@@ -107,9 +107,9 @@ install_tests:
-
pip install numpy
-
python setup.py compile
-
python setup.py sdist
-
pip install dist/nomad-
0.8.0
.tar.gz
-
pip install dist/nomad-
lab
.tar.gz
-
python -c "import nomad.datamodel, nomad.datamodel.metainfo, nomad.client"
-
pip install dist/nomad-
0.8.0
.tar.gz[parsing]
-
pip install dist/nomad-
lab
.tar.gz[parsing]
-
python -m nomad.cli parse tests/data/parsers/vasp/vasp.xml
deploy
:
...
...
Dockerfile
View file @
c6418186
...
...
@@ -75,6 +75,7 @@ COPY . /app
RUN
python setup.py compile
RUN
pip
install
.[all]
RUN
python setup.py sdist
RUN
cp
dist/nomad-lab-
*
.tar.gz dist/nomad-lab.tar.gz
WORKDIR
/app/docs
RUN
make html
...
...
README.md
View file @
c6418186
...
...
@@ -46,9 +46,12 @@ contributing, and API reference.
Omitted versions are plain bugfix releases with only minor changes and fixes.
### v0.8.1
-
switched to support Python 3.7
### v0.8.0
-
new underlying datamodel that allows to maintain multiple domains
-
mul
i
tple domains supported the GUI
-
mult
i
ple domains supported the GUI
-
new metainfo implementation
-
API endpoint to access the metainfo
-
new archive based on new metainfo
...
...
@@ -175,4 +178,4 @@ The first production version of nomad@fairdi as the upload API and gui for NOMAD
### v0.4.2
-
bugfixes regarding the migration
-
better migration configurability and reproducibility
-
scales to multi node kubernetes deployment
-
scales to multi node kubernetes deployment
\ No newline at end of file
python_common
@
2e385c1d
Compare
5c98d3fc
...
2e385c1d
Subproject commit
5c98d3fc345beb43ecb8c163fb2f1ad9678f45a
2
Subproject commit
2e385c1dbf934157d0e533ee709595fd0ccfb74
2
docs/client/install.rst
View file @
c6418186
...
...
@@ -2,11 +2,18 @@ Install the NOMAD client library
================================
We release the NOMAD client library as a Python `distutils <https://docs.python.org/3/library/distutils.html>`_ source distribution.
You can install it the usual way using *pip* (or *conda*).
You can
download and
install it the usual way using *pip* (or *conda*).
Install from pypi
.. parsed-literal::
pip install nomad --extra-index-url |pypi_url|
pip install nomad-lab
Download and install latest release from nomad
.. parsed-literal::
curl https://repository.nomad-coe.eu/v0.8/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
certain functions of NOMAD. The base install above, will only install the
...
...
@@ -19,9 +26,9 @@ requirements:
.. parsed-literal::
pip install nomad[parsing]
--extra-index-url |pypi_url|
pip install nomad[infrastructure]
--extra-index-url |pypi_url|
pip install nomad[dev]
--extra-index-url |pypi_url|
pip install nomad
-lab
[parsing]
pip install nomad
-lab
[infrastructure]
pip install nomad
-lab
[dev]
The various *extras* have the following meaning:
...
...
docs/conf.py
View file @
c6418186
...
...
@@ -29,10 +29,6 @@ project = 'nomad-FAIRDI'
copyright
=
'2018, FAIRDI e.V.'
author
=
'FAIRDI e.V.'
rst_epilog
=
'''
.. |pypi_url| replace:: https://repository.nomad-coe.eu/v0.8/dist/
'''
# The short X.Y version
version
=
''
# The full version, including alpha/beta/rc tags
...
...
gui/package.json
View file @
c6418186
{
"name"
:
"nomad-fair-gui"
,
"version"
:
"0.8.
0
"
,
"version"
:
"0.8.
1
"
,
"commit"
:
"e98694e"
,
"private"
:
true
,
"dependencies"
:
{
...
...
nomad/client.py
View file @
c6418186
...
...
@@ -29,7 +29,7 @@ source distribution
.. parsed-literal::
pip install nomad
--extra-index-url |pypi_url|
pip install nomad
-lab
First example
...
...
nomad/config.py
View file @
c6418186
...
...
@@ -261,7 +261,7 @@ datacite = NomadConfig(
password
=
'*'
)
version
=
'0.8.
0
'
version
=
'0.8.
1
'
commit
=
gitinfo
.
commit
release
=
'devel'
default_domain
=
'dft'
...
...
ops/helm/nomad/Chart.yaml
View file @
c6418186
apiVersion
:
v1
appVersion
:
"
0.8.
0
"
appVersion
:
"
0.8.
1
"
description
:
A Helm chart for Kubernetes that only runs nomad services and uses externally hosted databases.
name
:
nomad
version
:
0.8.
0
version
:
0.8.
1
setup.py
View file @
c6418186
...
...
@@ -11,7 +11,7 @@
# 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.
from
typing
import
Dict
,
Any
from
setuptools
import
setup
,
find_packages
from
subprocess
import
call
from
setuptools.command.install
import
install
as
setup_install
...
...
@@ -20,7 +20,7 @@ import os
import
sys
import
json
import
re
import
fastentrypoints
import
fastentrypoints
# pylint: disable=unused-import
'''
This setup.py works differently for creating a distribution than installing for
...
...
@@ -131,7 +131,7 @@ def compile_dependency_setup_kwargs(paths, **kwargs):
os
.
chdir
(
os
.
path
.
dirname
(
setup_path
))
try
:
runpy
.
run_path
(
file
,
run_name
=
'__main__'
)
except
Exception
as
e
:
except
Exception
:
import
traceback
traceback
.
print_exc
()
print
(
'Could not run %s'
%
setup_path
)
...
...
@@ -232,9 +232,9 @@ def setup_kwargs():
install_requires
,
extras_require
=
parse_requirements
()
return
dict
(
name
=
'nomad'
,
name
=
'nomad
-lab
'
,
version
=
config
.
version
,
description
=
'The
nomad@FAIRDI infrastructure p
ython package'
,
description
=
'The
NOvel MAterials Discovery (NOMAD) P
ython package'
,
package_dir
=
{
''
:
'./'
},
packages
=
[
'nomad.%s'
%
pkg
for
pkg
in
find_packages
(
'./nomad'
)]
+
[
'nomad'
],
setup_requires
=
[
'pip'
,
'setuptools'
,
'wheel'
,
'fastentrypoints'
,
'numpy'
,
'pyyaml'
],
...
...
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