diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index b09bbf57aa9eb4c1be7eb021e4cb2c87ab3cfcf3..4dea7e7f6190c8ba7a4510b7818bffe1932d8f98 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -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: diff --git a/Dockerfile b/Dockerfile index 7b2271ad8ee957cd7903f544c9f78f891df59aed..919a239994ae97fc0305b277b47a436e13b978cd 100644 --- a/Dockerfile +++ b/Dockerfile @@ -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 diff --git a/README.md b/README.md index 2167a05efd162ab8499c60b0ccff0d50d84d1fc5..ee6d252a1cf5bd26e30af32110aeab2756221130 100644 --- a/README.md +++ b/README.md @@ -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 -- mulitple domains supported the GUI +- multiple 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 diff --git a/dependencies/python_common b/dependencies/python_common index 5c98d3fc345beb43ecb8c163fb2f1ad9678f45a2..2e385c1dbf934157d0e533ee709595fd0ccfb742 160000 --- a/dependencies/python_common +++ b/dependencies/python_common @@ -1 +1 @@ -Subproject commit 5c98d3fc345beb43ecb8c163fb2f1ad9678f45a2 +Subproject commit 2e385c1dbf934157d0e533ee709595fd0ccfb742 diff --git a/docs/client/install.rst b/docs/client/install.rst index bbdb0d451d1e5de3601f347a0c137c1b39e6fccc..48e0d5231c6f5ca68b504ab386f4401d4743612b 100644 --- a/docs/client/install.rst +++ b/docs/client/install.rst @@ -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: diff --git a/docs/conf.py b/docs/conf.py index e38f998e138bbd31aab483d78d3c635888d0b34e..098cae154dd799220e8fe8a046c31cb5dd898c6a 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -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 diff --git a/gui/package.json b/gui/package.json index 9d9af8e7d0c6d3bae74b36b6dfff72460e1ac3de..461302938bc874c896a2e9c0ab0359055f745210 100644 --- a/gui/package.json +++ b/gui/package.json @@ -1,6 +1,6 @@ { "name": "nomad-fair-gui", - "version": "0.8.0", + "version": "0.8.1", "commit": "e98694e", "private": true, "dependencies": { diff --git a/nomad/client.py b/nomad/client.py index 0488842f9604e4900f730eb2657e1c346d5ecddd..1b73feeaa9ffbe5f4af81bc45c7ff8077c2dfffa 100644 --- a/nomad/client.py +++ b/nomad/client.py @@ -29,7 +29,7 @@ source distribution .. parsed-literal:: - pip install nomad --extra-index-url |pypi_url| + pip install nomad-lab First example diff --git a/nomad/config.py b/nomad/config.py index 0477ec2326df4800cb082b7b8219b700946cd761..019db0280882b42b7c8e0660e7fa6d6c89ead9b0 100644 --- a/nomad/config.py +++ b/nomad/config.py @@ -261,7 +261,7 @@ datacite = NomadConfig( password='*' ) -version = '0.8.0' +version = '0.8.1' commit = gitinfo.commit release = 'devel' default_domain = 'dft' diff --git a/ops/helm/nomad/Chart.yaml b/ops/helm/nomad/Chart.yaml index ae5c367983977b455a0f4f4ffa06a50be7d9c7f9..4843a8c3b33417a510c2e1807f3b944ef251d989 100644 --- a/ops/helm/nomad/Chart.yaml +++ b/ops/helm/nomad/Chart.yaml @@ -1,5 +1,5 @@ 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 diff --git a/setup.py b/setup.py index 07358a0ad4d4d6d85d14e9dfbd77a4c3895a6671..d285fa289530b4e4dd1cd53dd843575ca832e6e4 100644 --- a/setup.py +++ b/setup.py @@ -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 python package', + description='The NOvel MAterials Discovery (NOMAD) Python package', package_dir={'': './'}, packages=['nomad.%s' % pkg for pkg in find_packages('./nomad')] + ['nomad'], setup_requires=['pip', 'setuptools', 'wheel', 'fastentrypoints', 'numpy', 'pyyaml'],