imdclient 0.1.1__py3-none-any.whl → 0.1.2__py3-none-any.whl

{imdclient-0.1.1.dist-info → imdclient-0.1.2.dist-info}/RECORD

@@ -1,12 +1,12 @@
-imdclient/IMDClient.py,sha256=2P4wgv8fZjZ_3JFLsm3L2JxxAlTAiWTZtXr5vRWJHf0,30687
+imdclient/IMDClient.py,sha256=DavJNzgCvSCjILhOj4-FHOOYPPG55BIBiDauh9xZM9Y,30518
 imdclient/IMDProtocol.py,sha256=jm7ehwfDCcs-zWHjZ2V2KpAWdGhD4JSy7RVtCSF0818,4045
-imdclient/IMDREADER.py,sha256=V8yfkQkKYyWwYh0V2m7EOg0yzdsUKmQAqDmIlzgiiIY,3712
+imdclient/IMDREADER.py,sha256=nsYSHNjqoCY64XRj-SXVmv4nfbebAcdQSEm0OrEafGY,3828
 imdclient/__init__.py,sha256=Pa5h6Fjyvyxf3ECzO43pcmLm3Vk-vOuEb5Gi6TDWhds,339
 imdclient/backends.py,sha256=QmHjwYbmvFVHz-uFgpSOA0UmZTZqiMGqWMO7B8wr1zs,10368
 imdclient/results.py,sha256=2MyjFdQMW7BfiHhG5X6wQwMVrF_0mKYFnv907lgLMas,9920
 imdclient/streamanalysis.py,sha256=Qq0h_WPO-wb0_lP8jTRHe0HX7UDZNgJFA6C4PZdUmK8,38385
 imdclient/streambase.py,sha256=rwhdyC2V3_9pSz_6rNwjSc4MNToI9S318OH7AH0arHA,6176
-imdclient/utils.py,sha256=kd1e5nqEOb46hCR_9ITjDB30j56mXFbV0u_wMv0pMco,3330
+imdclient/utils.py,sha256=VWxk4vQ6hzxoYRu-8Ge8fJG-EitJwgJR93wOWCvzY-0,3308
 imdclient/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 imdclient/data/gromacs/md/gromacs_struct.gro,sha256=kt4vE10iF_1RbeyTogmYmIY9yKJacofrzNT-hPHGyL8,1459301
 imdclient/data/gromacs/md/gromacs_v3.top,sha256=AXFEDjvz5Qqq-VECffimdeEvhD6L-H0SFPILW-6Sums,348329
@@ -23,20 +23,20 @@ imdclient/data/namd/md/alanin.psf,sha256=VhCZeGFhpUa8yN5iEL19zlVjqIJg2JIdPzhazpR
 imdclient/data/namd/md/namd_v3.namd,sha256=KWH3RXsa0aeA9dYSz9CnUFHcDGbAFnB3yLoYaLtCiBs,720
 imdclient/tests/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 imdclient/tests/base.py,sha256=OsoZm4T5E7p4XEQ6F4Je0g3vgpa8wcPQgKbWaC2AttQ,3761
-imdclient/tests/conftest.py,sha256=k_QOYMf8Q70ebP1tRKclIYYM9DE6XKvP5NiJgllu8w8,1255
+imdclient/tests/conftest.py,sha256=ERj5d4roxWGqpXS8-W-LFB_INEkb_4oz5ous92u2yK4,1377
 imdclient/tests/datafiles.py,sha256=36Mip1wx_LHukJIaHu0Ew-F0XFIEXNEyXg2wRzQLDaM,1118
 imdclient/tests/server.py,sha256=7KqzDg74d7Oe617jctB-rDGvEUNSaT9agkp9SiEtiME,6978
 imdclient/tests/test_gromacs.py,sha256=4HbgK6lnE6G35bvYDpFiQbLVz7-q9BB9FKsgjeCa9do,942
 imdclient/tests/test_imdclient.py,sha256=99u_xIHNMCCJSew5IoPndxAa5N3F-r37jqFProkl4Ts,5336
-imdclient/tests/test_imdreader.py,sha256=TID3iFOZRY3wrHobYkP5FNYIYwAt3c2SIc8ACkTSotY,22954
+imdclient/tests/test_imdreader.py,sha256=psucJE9rpnbOXy1onVY2Vp24myLY2gAgPpoUPAwBBMI,22966
 imdclient/tests/test_lammps.py,sha256=NZqX0Hj65I3A33LpejZThZTo-0PuI_4x_wODzJ9o490,957
-imdclient/tests/test_manual.py,sha256=2YNRkpaGdI5-Pro6xSCujhwZHsHf0C1Ehu2v2dk3lbM,2507
+imdclient/tests/test_manual.py,sha256=tDnqBnET1wGQhw0V2Fs_G_26Tvh6zbyGgW5WJAXROgM,3422
 imdclient/tests/test_namd.py,sha256=69F27qUH2GmdQMvm3RQHQFS1aAl8JiNz16SN8D6mp-E,962
-imdclient/tests/test_stream_analysis.py,sha256=BS3U-FwBc2shYAsDHvUX8H6Zioo_tUNGirkzWcuMXEY,1723
+imdclient/tests/test_stream_analysis.py,sha256=E9rsG-YrdUs9Kd_VWxT0lU6Z_2xUkD6MpHbeuoqRRvE,1729
 imdclient/tests/utils.py,sha256=i5GviFFdIaDsAOv8giP_jVJUeGww86nD0l2brB4_jRM,890
-imdclient-0.1.1.dist-info/AUTHORS.md,sha256=R4JTI7mrgL1WYgfyuAv4quw0e0oLQGVjWcMQa-UXJlE,652
-imdclient-0.1.1.dist-info/LICENSE,sha256=cERlftlPR1Vka6DmjkIosLRBZTXXhOsLFU3jw1ELcXs,1065
-imdclient-0.1.1.dist-info/METADATA,sha256=O5rAMU1eSnDZDqxHFkRyocftSD92MP0k-6s7u9V251Y,6952
-imdclient-0.1.1.dist-info/WHEEL,sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ,91
-imdclient-0.1.1.dist-info/top_level.txt,sha256=40W62GWiXUT2CbDm-No7GTeJG160wyIMpk1hBNrdkkE,10
-imdclient-0.1.1.dist-info/RECORD,,
+imdclient-0.1.2.dist-info/AUTHORS.md,sha256=R4JTI7mrgL1WYgfyuAv4quw0e0oLQGVjWcMQa-UXJlE,652
+imdclient-0.1.2.dist-info/LICENSE,sha256=ixuiBLtpoK3iv89l7ylKkg9rs2GzF9ukPH7ynZYzK5s,35148
+imdclient-0.1.2.dist-info/METADATA,sha256=T-0c6SiWcdq5llJbWb2WTcpAOBVyIuSyAJCAnzgDr90,46259
+imdclient-0.1.2.dist-info/WHEEL,sha256=OVMc5UfuAQiSplgO0_WdW7vXVGAt9Hdd6qtN4HotdyA,91
+imdclient-0.1.2.dist-info/top_level.txt,sha256=40W62GWiXUT2CbDm-No7GTeJG160wyIMpk1hBNrdkkE,10
+imdclient-0.1.2.dist-info/RECORD,,

{imdclient-0.1.1.dist-info → imdclient-0.1.2.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (75.1.0)
+Generator: setuptools (75.2.0)
 Root-Is-Purelib: true
 Tag: py3-none-any
 

imdclient-0.1.1.dist-info/LICENSE

@@ -1,21 +0,0 @@
-MIT License
-
-Copyright (c) 2024 ljwoods2
-
-Permission is hereby granted, free of charge, to any person obtaining a copy
-of this software and associated documentation files (the "Software"), to deal
-in the Software without restriction, including without limitation the rights
-to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
-copies of the Software, and to permit persons to whom the Software is
-furnished to do so, subject to the following conditions:
-
-The above copyright notice and this permission notice shall be included in all
-copies or substantial portions of the Software.
-
-THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
-SOFTWARE.

imdclient-0.1.1.dist-info/METADATA

@@ -1,143 +0,0 @@
-Metadata-Version: 2.1
-Name: imdclient
-Version: 0.1.1
-Summary: Receiver for IMD v2 and v3 data from simulation engines like Gromacs, LAMMPS, and NAMD
-Author-email: Lawson <ljwoods2@asu.edu>
-Maintainer-email: Lawson <ljwoods2@asu.edu>
-License: MIT License
-        
-        Copyright (c) 2024 ljwoods2
-        
-        Permission is hereby granted, free of charge, to any person obtaining a copy
-        of this software and associated documentation files (the "Software"), to deal
-        in the Software without restriction, including without limitation the rights
-        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
-        copies of the Software, and to permit persons to whom the Software is
-        furnished to do so, subject to the following conditions:
-        
-        The above copyright notice and this permission notice shall be included in all
-        copies or substantial portions of the Software.
-        
-        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
-        SOFTWARE.
-        
-Keywords: molecular simulations
-Requires-Python: >=3.9
-Description-Content-Type: text/markdown
-License-File: LICENSE
-License-File: AUTHORS.md
-Requires-Dist: MDAnalysis >=2.7.0
-Provides-Extra: doc
-Requires-Dist: sphinx ; extra == 'doc'
-Requires-Dist: sphinx-rtd-theme ; extra == 'doc'
-Provides-Extra: test
-Requires-Dist: pytest >=6.0 ; extra == 'test'
-Requires-Dist: pytest-xdist >=2.5 ; extra == 'test'
-Requires-Dist: pytest-cov >=3.0 ; extra == 'test'
-Requires-Dist: MDAnalysisTests >=2.7.0 ; extra == 'test'
-
-IMDClient
-==============================
-[//]: # (Badges)
-
-| **Latest release** | [![Last release tag][badge_release]][url_latest_release] ![GitHub commits since latest release (by date) for a branch][badge_commits_since]  [![Documentation Status][badge_docs]][url_docs]|
-| :----------------- | :------- |
-| **Status**         | [![GH Actions Status][badge_actions]][url_actions] [![codecov][badge_codecov]][url_codecov] |
-| **Community**      | [![License: GPL v2][badge_license]][url_license]  [![Powered by MDAnalysis][badge_mda]][url_mda]|
-
-[badge_actions]: https://github.com/becksteinlab/imdclient/actions/workflows/gh-ci.yaml/badge.svg
-[badge_codecov]: https://codecov.io/gh/becksteinlab/imdclient/branch/main/graph/badge.svg
-[badge_commits_since]: https://img.shields.io/github/commits-since/becksteinlab/imdclient/latest
-[badge_docs]: https://readthedocs.org/projects/imdclient/badge/?version=latest
-[badge_license]: https://img.shields.io/badge/License-MIT-blue.svg
-[badge_mda]: https://img.shields.io/badge/powered%20by-MDAnalysis-orange.svg?logoWidth=16&logo=data:image/x-icon;base64,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
-[badge_release]: https://img.shields.io/github/release-pre/becksteinlab/imdclient.svg
-[url_actions]: https://github.com/becksteinlab/imdclient/actions?query=branch%3Amain+workflow%3Agh-ci
-[url_codecov]: https://codecov.io/gh/becksteinlab/imdclient/branch/main
-[url_docs]: https://imdclient.readthedocs.io/en/latest/?badge=latest
-[url_latest_release]: https://github.com/becksteinlab/imdclient/releases
-[url_license]: https://www.gnu.org/licenses/gpl-2.0
-[url_mda]: https://www.mdanalysis.org
-
-Receiver for IMDv3 protocol from simulation engines like Gromacs, LAMMPS, and NAMD.
-
-IMDClient is bound by a [Code of Conduct](https://github.com/becksteinlab/imdreader/blob/main/CODE_OF_CONDUCT.md).
-
-### Installation
-
-To build IMDClient from source,
-we highly recommend using virtual environments.
-If possible, we strongly recommend that you use
-[Anaconda](https://docs.conda.io/en/latest/) as your package manager.
-Below we provide instructions both for `conda` and
-for `pip`.
-
-#### With conda
-
-Ensure that you have [conda](https://docs.conda.io/projects/conda/en/latest/user-guide/install/index.html) installed.
-
-Create a virtual environment and activate it:
-
-```
-conda create --name imdclient
-conda activate imdclient
-```
-
-<!-- Install the development and documentation dependencies:
-
-```
-conda env update --name imdreader --file devtools/conda-envs/test_env.yaml
-conda env update --name imdreader --file docs/requirements.yaml
-``` -->
-
-Build this package from source:
-
-```
-pip install -e .
-```
-
-If you want to update your dependencies (which can be risky!), run:
-
-```
-conda update --all
-```
-
-And when you are finished, you can exit the virtual environment with:
-
-```
-conda deactivate
-```
-
-#### With pip
-
-To build the package from source, run:
-
-```
-pip install .
-```
-
-If you want to create a development environment, install
-the dependencies required for tests and docs with:
-
-```
-pip install ".[test,doc]"
-```
-
-### Copyright
-
-The IMDClient source code is hosted at https://github.com/becksteinlab/imdclient
-and is available under the MIT license (see the file [LICENSE](https://github.com/becksteinlab/imdclient/blob/main/LICENSE)).
-
-Copyright (c) 2024, Lawson
-
-
-#### Acknowledgements
- 
-Project based on the 
-[MDAnalysis Cookiecutter](https://github.com/MDAnalysis/cookiecutter-mda) version 0.1.
-<!-- Please cite [MDAnalysis](https://github.com/MDAnalysis/mdanalysis#citation) when using IMDReader in published work. -->