psdi-data-conversion 0.0.31__py3-none-any.whl → 0.0.33__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- psdi_data_conversion/static/content/report.htm +1 -1
- {psdi_data_conversion-0.0.31.dist-info → psdi_data_conversion-0.0.33.dist-info}/METADATA +5 -6
- {psdi_data_conversion-0.0.31.dist-info → psdi_data_conversion-0.0.33.dist-info}/RECORD +6 -6
- {psdi_data_conversion-0.0.31.dist-info → psdi_data_conversion-0.0.33.dist-info}/WHEEL +0 -0
- {psdi_data_conversion-0.0.31.dist-info → psdi_data_conversion-0.0.33.dist-info}/entry_points.txt +0 -0
- {psdi_data_conversion-0.0.31.dist-info → psdi_data_conversion-0.0.33.dist-info}/licenses/LICENSE +0 -0
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<div class="smallGap"></div>
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<p>
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To report a missing format or conversion, please use
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<a href="https://
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<a href="https://data-conversion.psdi.ac.uk/static/content/report.htm?origin=local">the interface on the public
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web app</a>.
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</p>
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<div class="medGap"></div>
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Metadata-Version: 2.1
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Name: psdi_data_conversion
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Version: 0.0.
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Version: 0.0.33
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Summary: Chemistry file format conversion service, provided by PSDI
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Project-URL: Homepage, https://
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Project-URL: Homepage, https://data-conversion.psdi.ac.uk/
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Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/
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Project-URL: Repository, https://github.com/PSDI-UK/psdi-data-conversion
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Project-URL: Issues, https://github.com/PSDI-UK/psdi-data-conversion/issues
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This is the repository for the PSDI PF2 Chemistry File Format Conversion project. The goal of this project is to provide utilities to assist in converting files between the many different file formats used in chemistry, providing information on what converters are available for a given conversion and the expected quality of it, and providing multiple interfaces to perform these conversions. These interfaces are:
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- Online web service, available at https://
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- Online web service, available at https://data-conversion.psdi.ac.uk/
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- Version of the web app you can download and run locally (e.g. if you need to convert files which exceed the online app's file size limit)
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- Command-line application, to run conversions from a terminal
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- Python library
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- `LICENSE` (Apache Licence version 2.0)
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- `pyproject.toml` (Python project metadata and settings)
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- `README.md` (This file)
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- `requirements.txt` (Requirements for the
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- `requirements.txt` (Requirements for the web app deployment of this project)
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- `run_local.sh` (Helper script to run the web app locally)
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- `startup.sh` (Startup script for the Azure web app)
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## Requirements
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## Using the Online Conversion Service
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Enter https://
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Enter https://data-conversion.psdi.ac.uk/ in a browser. Guidance on usage is given on each page of the website.
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## Running the Python/Flask app locally
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@@ -31,7 +31,7 @@ psdi_data_conversion/static/content/feedback.htm,sha256=jFoOI3t1VVchBcQBZGjPaVo2
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psdi_data_conversion/static/content/header-links.html,sha256=7B2bHa7dLfSZ4hPMvVJ3kR0niVAOO3FtHJo0K6m1oP4,693
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psdi_data_conversion/static/content/psdi-common-footer.html,sha256=CM9F6AXM1LVMLvTP51xTzOicEelSXlyXQyN-BjrQAJk,3933
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psdi_data_conversion/static/content/psdi-common-header.html,sha256=I2YXZ92K2nsIAhLSKCA9zJHc5B_QGiB3HAbD0YDCw0g,1742
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psdi_data_conversion/static/content/report.htm,sha256=
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psdi_data_conversion/static/content/report.htm,sha256=o0Fn6QgKIEr2KtDoucQ203F3YhHQCIbAnbMvU7ylgh8,4530
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psdi_data_conversion/static/content/index-versions/header-links.html,sha256=WN9oZL7hLtH_yv5PvX3Ky7_YGrNvQL_RQ5eU8DB50Rg,764
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psdi_data_conversion/static/content/index-versions/psdi-common-footer.html,sha256=zzizo_YEPhvH3_jNPFkFoKZA0TnIG6EXzQOsgooU1K8,3989
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psdi_data_conversion/static/content/index-versions/psdi-common-header.html,sha256=FQevMlVaiQ8tRb381El7DYq_9VSNbtpL9EeImDdwDfM,1809
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@@ -79,8 +79,8 @@ psdi_data_conversion/testing/constants.py,sha256=TnUtsNmlFSzBrCWrCOp0TfKz33s8Oxz
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psdi_data_conversion/testing/conversion_callbacks.py,sha256=oSq93JdTz7KvLVirq_Ibaglg1ZxzuoKuWMv9DS2ykgs,18709
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psdi_data_conversion/testing/conversion_test_specs.py,sha256=bJxCDS-qq9M2_v22V6qJ4ZNHR9nOHcBsHzXMle91ejs,14795
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psdi_data_conversion/testing/utils.py,sha256=1QHd-bwc04SzqvwkV9Bhmm8Zi4ARoQE4jaECaTvaGAU,22601
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psdi_data_conversion-0.0.33.dist-info/METADATA,sha256=XVxiJBx8MBfjDasmJjI8hqhAgFl-LXWnffYjNWQ3bq4,36435
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psdi_data_conversion-0.0.33.dist-info/WHEEL,sha256=TJPnKdtrSue7xZ_AVGkp9YXcvDrobsjBds1du3Nx6dc,87
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psdi_data_conversion-0.0.33.dist-info/entry_points.txt,sha256=o5y9mx-xX_koYtoAEB4acBG8lUkmhu8TlJhYD7axDS0,69
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psdi_data_conversion-0.0.33.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
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psdi_data_conversion-0.0.33.dist-info/RECORD,,
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File without changes
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{psdi_data_conversion-0.0.31.dist-info → psdi_data_conversion-0.0.33.dist-info}/entry_points.txt
RENAMED
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{psdi_data_conversion-0.0.31.dist-info → psdi_data_conversion-0.0.33.dist-info}/licenses/LICENSE
RENAMED
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