====================
SEAMM Installer Step
====================
| |pull| |CI| |docs| |coverage| |lgtm| |PyUp|
| |Release| |PyPi|
The installer/updater for SEAMM.
* Free software: GNU Lesser General Public License v3+
* Documentation: https://molssi-seamm.github.io/seamm_installer/index.html
.. |pull| image:: https://img.shields.io/github/issues-pr-raw/molssi-seamm/seamm_installer
:target: https://github.com/molssi-seamm/seamm_installer/pulls
:alt: GitHub pull requests
.. |CI| image:: https://github.com/molssi-seamm/seamm_installer/workflows/CI/badge.svg
:target: https://github.com/molssi-seamm/seamm_installer/actions?query=workflow%3ACI
:alt: CI status
.. |docs| image:: https://github.com/molssi-seamm/seamm_installer/workflows/Documentation/badge.svg
:target: https://github.com/molssi-seamm/seamm_installer/actions?query=workflow%3ADocumentation
:alt: Documentation Status
.. |coverage| image:: https://codecov.io/gh/molssi-seamm/seamm_installer/branch/master/graph/badge.svg
:target: https://codecov.io/gh/molssi-seamm/seamm_installer
:alt: Code coverage
.. |lgtm| image:: https://img.shields.io/lgtm/grade/python/g/molssi-seamm/seamm_installer.svg?logo=lgtm&logoWidth=18
:target: https://lgtm.com/projects/g/molssi-seamm/seamm_installer/context:python
:alt: Code Quality
.. |PyUp| image:: https://pyup.io/repos/github/molssi-seamm/seamm_installer/shield.svg
:target: https://pyup.io/repos/github/molssi-seamm/seamm_installer/
:alt: Updates for requirements
.. |Release| image:: https://github.com/molssi-seamm/seamm_installer/workflows/Release/badge.svg
:target: https://github.com/molssi-seamm/seamm_installer/actions?query=workflow%3ARelease
:alt: CI status for releases
.. |PyPi| image:: https://img.shields.io/pypi/v/seamm_installer.svg
:target: https://pypi.python.org/pypi/seamm_installer
:alt: Release version
Features
--------
* TODO
Credits
---------
This package was created with Cookiecutter_ and the
`molssi-seamm/cookiecutter-seamm-plugin`_ project template.
Developed by the Molecular Sciences Software Institute (MolSSI_),
which receives funding from the National Science Foundation under
award OAC-1547580 and CHE-2136142.
.. _MolSSI: https://molssi.org
.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`molssi-seamm/cookiecutter-seamm-plugin`: https://github.com/molssi-seamm/cookiecutter-seamm-plugin
=======
History
=======
2025.8.22: Bugfix: simplejson caused crash
* If installed by one of the packages, simplejson caused the installer to crash
because of an incompatibility between simplejson and the standard Python JSON
package.
* Improved feedback about progress when install and updating from the GUI.
2025.7.7: Bugfix: Ensure creation of ~/SEAMM directory
2025.6.21: Bugfix: error in path to Conda environments.
* Fixed an error in the previous release that caused the code to get the incorrect
path to the conda installation.
2025.6.6 -- Better handling of Conda paths
* Some conda installations use paths rather than names. This may be common at
computer centers with a central installation of the base environment and
individual user installations of other environments. This version supports such
installations.
2025.4.30 -- Bugfix: Issues in graphical install
* Also added 'conda list --explicit' environment files for each environment.
2025.3.9 -- Significant update
* Working with the new packing lists, generated by installing SEAMM now that we
cannot programatically search PyPi.
* Added support for dependencies with pinned versions, which is becoming increasingly
necessary.
* Use conda env update with custom environment file which include any pinning
needed. This appears to avoid the problems with updating encountered with the last
version.
2024.4.22 -- Moving user preferences to ~/.seamm.d
* Moved seamm.ini from ~/SEAMM to ~/seamm.d since it only contains personal preferences.
2024.3.17 Enhancements
* Install and update now use the latest version unless the package is pinned in the
packing list.
* Changes to support the plug-ion specific installs, which are now handling the
specific <code>.ini files.
2024.3.11 Updating to work with new packing list.
* Versions of packages are now stored as strings and compared using semver, since
the older approach is being deprecated in Python.
2023.11.3 BugFix: Internal update due to changes for versioneer
2023.11.2 Bugfix: Fixed a crash casued by a minor change in the Zenodo API
2023.6.7 Bugfix: Ensuring the LaunchAgents directory exists on Mac
2023.4.2 Bugfix: Updating full conda environment breaks pinning.
So removed that capability.
2023.4.1.1 Bugfix: Problem with JobServer service
2023.4.1 Bugfix: get latest version from Zenodo
2023.3.31.1 Switching to Zenodo
* Getting the package list from Zenodo
* Added ability to pin packages.
2023.3.31
* Added new plug-in: QCArchive
2023.3.23
* Added new plug-ins: Gaussian, TorchANI and NWChem
* Updated creating the JobServer service to handle changes in the JobServer
2022.10.25
Added QuickMin and ensured the Dashboard is included.
Also hardened the code, handling more errors gracefully.
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