albgar
commented
7 years ago Hi Vladimir,
Great!
Just a potentially important comment for now: shouldn't the official registration name be 'aiida-siesta', with a hyphen instead of underscore?
Alberto
----- El 18 de Junio 2017, a las 17:36, Vladimir Dikan notifications@github.com escribió:
| 1. Rearranged plugin files. It installs. No need to rename core | directory/repository name (aiida_siesta_plugin is okay). |
2. Added configuration files for the dummy PYPI package that is already | registered and uploaded: https://pypi.python.org/pypi/aiida_siesta/0.0.1 | Well, it is not "dummy", but the state of the plugin in my opinion is | Pre-Alpha (and so I marked at the config). |
|---|---|---|---|---|---|
AiiDA developers clarified on the "bug" with reentry module, but yet do not |
|||||
| advise for now to use it since for now its behavior is somewhat unpredictable: | |||||
> Contrary to pkg_resources, reentry does not see endpoints of the plugin. |
|||||
| > | |||||
| > aiida version 0.9.0, example of the plugin can be viewd here: | |||||
| > https://github.com/vdikan/aiida_siesta_plugin | |||||
| > | |||||
> Both installed with pip install -e |
|||||
| > | |||||
| > With current pluginloader using reentry the plugin is ignored. | |||||
| > If commented out (in aiida/common/pluginloader.py): | |||||
| > | |||||
| > ``` | |||||
| > # try: | |||||
| > # from reentry import manager as epm | |||||
| > # except ImportError: | |||||
| > import pkg_resources as epm | |||||
| >``` | |||||
| > | |||||
> ...works as planned (e.g. visible through verdi calculation plugins) |
|||||
| > | |||||
| > Dear Vladimir, | |||||
| > | |||||
| > I think you need to add setup_requires=['reentry'] and reentry_register=True to | |||||
| > the options in your setup.py. Only then will the plugins be registered into | |||||
| > reentry. | |||||
| > | |||||
| > However, I also think that the reentry system is not quite production-ready yet. | |||||
| > I just recently found an issue with reentry which resulted in my Calculation | |||||
| > nodes being stored as bare JobCalculation, instead of the correct plugin | |||||
| > calculation class. While I did fix this issue (see here), it is not in the | |||||
| > latest published reentry version yet. | |||||
| > | |||||
| > So for the time being I would suggest keeping your hotfix, or just uninstalling | |||||
| > reentry which has the same effect. | |||||
| > | |||||
| > Best regards, | |||||
| > | |||||
| > Dominik Gresch | |||||
| You can view, comment on, or merge this pull request online at: | |||||
| https://github.com/albgar/aiida_siesta_plugin/pull/3 | |||||
| -- Commit Summary -- | |||||
| * responding new plugin structure | |||||
| * pypi registration setup | |||||
| -- File Changes -- | |||||
| M .gitignore (6) | |||||
| A MANIFEST.in (2) | |||||
| M aiida_siesta/calculations/siesta.py (1) | |||||
| R aiida_siesta/data/init.py (0) | |||||
| R aiida_siesta/data/psf.py (0) | |||||
| R aiida_siesta/legacy/docs/siesta/features.rst (0) | |||||
| R aiida_siesta/legacy/docs/siesta/index.rst (0) | |||||
| R aiida_siesta/legacy/docs/siesta/limitations.rst (0) | |||||
| R aiida_siesta/legacy/docs/siesta/philosophy.rst (0) | |||||
| R aiida_siesta/legacy/docs/siesta/standard.rst (0) | |||||
| R aiida_siesta/legacy/examples/init.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/init.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/data/C.psf (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/data/Fe.psf (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/data/H.psf (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/data/O.psf (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/data/O2_ICSD_173933.cif (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/data/Si.psf (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/get_cif.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/get_scalars.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/get_status.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/get_structures.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_bands.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_cif_bands.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_geom_fail.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_magnetic.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_restart.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_scf_fail.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_si.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_si_bands.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_sih.py (0) | |||||
| R aiida_siesta/legacy/examples/submission/siesta/test_siesta_varcell.py (0) | |||||
| D aiida_siesta/parser/init.py (0) | |||||
| A setup.cfg (5) | |||||
| A setup.json (28) | |||||
| A setup.py (21) | |||||
| -- Patch Links -- | |||||
| https://github.com/albgar/aiida_siesta_plugin/pull/3.patch | |||||
| https://github.com/albgar/aiida_siesta_plugin/pull/3.diff | |||||
| -- | |||||
| You are receiving this because you are subscribed to this thread. | |||||
| Reply to this email directly or view it on GitHub: | |||||
| https://github.com/albgar/aiida_siesta_plugin/pull/3 |
aiida_siesta_pluginis okay).Pre-Alpha(and so I marked at the config).AiiDA developers clarified on the "bug" with
reentrymodule, but yet do not advise for now to use it since for now its behavior is somewhat unpredictable: