moldeck 0.0.1__tar.gz

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.
Files changed (8) hide show
  1. moldeck-0.0.1/PKG-INFO +44 -0
  2. moldeck-0.0.1/README.md +29 -0
  3. moldeck-0.0.1/moldeck.egg-info/PKG-INFO +44 -0
  4. moldeck-0.0.1/moldeck.egg-info/SOURCES.txt +6 -0
  5. moldeck-0.0.1/moldeck.egg-info/dependency_links.txt +1 -0
  6. moldeck-0.0.1/moldeck.egg-info/top_level.txt +1 -0
  7. moldeck-0.0.1/pyproject.toml +29 -0
  8. moldeck-0.0.1/setup.cfg +4 -0
moldeck-0.0.1/PKG-INFO ADDED
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+ Metadata-Version: 2.4
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+ Name: moldeck
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+ Version: 0.0.1
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+ Summary: Name registration for moldeck, a privately distributed molecular modelling workflow package (no modules included)
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+ Author-email: Koji Okuwaki <koujioku81@gmail.com>
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+ Project-URL: Public counterpart (abmptools), https://pypi.org/project/abmptools/
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+ Classifier: Development Status :: 1 - Planning
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+ Classifier: Intended Audience :: Science/Research
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+ Classifier: License :: Other/Proprietary License
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+ Classifier: Programming Language :: Python :: 3
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+ Classifier: Topic :: Scientific/Engineering :: Chemistry
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+ Classifier: Topic :: Scientific/Engineering :: Physics
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+ Requires-Python: >=3.8
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+ Description-Content-Type: text/markdown
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+
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+ # moldeck
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+
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+ `moldeck` is a private molecular modelling workflow package by Koji Okuwaki:
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+ generators and analysers for coarse-grained / DPD input, molecular fragmentation,
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+ crystal and amorphous model building, and enhanced-sampling and binding-free-energy
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+ workflows.
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+
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+ **This name is registered by the author. It is not a public distribution.**
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+
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+ This release intentionally contains **no importable modules** — installing it
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+ gives you nothing but this description, and it will not shadow a real `moldeck`
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+ installation.
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+
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+ ## Getting moldeck
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+
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+ `moldeck` is distributed privately, as an archive, to individually approved
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+ recipients. It is proprietary: reuse, redistribution and modification require
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+ the author's prior written permission. Please contact the author if you have a
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+ reason to use it.
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+
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+ ## Public counterpart
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+
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+ The author's public package is
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+ [**abmptools**](https://pypi.org/project/abmptools/) (Apache-2.0) —
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+ pre/post-processing and analysis for ABINIT-MP Fragment Molecular Orbital
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+ calculations, plus all-atom MD utilities. `moldeck` depends on `abmptools`;
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+ the dependency runs one way only.
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+
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+ If you are looking for something to install, you want `abmptools`.
moldeck-0.0.1/README.md ADDED
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+ # moldeck
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+
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+ `moldeck` is a private molecular modelling workflow package by Koji Okuwaki:
4
+ generators and analysers for coarse-grained / DPD input, molecular fragmentation,
5
+ crystal and amorphous model building, and enhanced-sampling and binding-free-energy
6
+ workflows.
7
+
8
+ **This name is registered by the author. It is not a public distribution.**
9
+
10
+ This release intentionally contains **no importable modules** — installing it
11
+ gives you nothing but this description, and it will not shadow a real `moldeck`
12
+ installation.
13
+
14
+ ## Getting moldeck
15
+
16
+ `moldeck` is distributed privately, as an archive, to individually approved
17
+ recipients. It is proprietary: reuse, redistribution and modification require
18
+ the author's prior written permission. Please contact the author if you have a
19
+ reason to use it.
20
+
21
+ ## Public counterpart
22
+
23
+ The author's public package is
24
+ [**abmptools**](https://pypi.org/project/abmptools/) (Apache-2.0) —
25
+ pre/post-processing and analysis for ABINIT-MP Fragment Molecular Orbital
26
+ calculations, plus all-atom MD utilities. `moldeck` depends on `abmptools`;
27
+ the dependency runs one way only.
28
+
29
+ If you are looking for something to install, you want `abmptools`.
moldeck-0.0.1/moldeck.egg-info/PKG-INFO ADDED
@@ -0,0 +1,44 @@
1
+ Metadata-Version: 2.4
2
+ Name: moldeck
3
+ Version: 0.0.1
4
+ Summary: Name registration for moldeck, a privately distributed molecular modelling workflow package (no modules included)
5
+ Author-email: Koji Okuwaki <koujioku81@gmail.com>
6
+ Project-URL: Public counterpart (abmptools), https://pypi.org/project/abmptools/
7
+ Classifier: Development Status :: 1 - Planning
8
+ Classifier: Intended Audience :: Science/Research
9
+ Classifier: License :: Other/Proprietary License
10
+ Classifier: Programming Language :: Python :: 3
11
+ Classifier: Topic :: Scientific/Engineering :: Chemistry
12
+ Classifier: Topic :: Scientific/Engineering :: Physics
13
+ Requires-Python: >=3.8
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+ Description-Content-Type: text/markdown
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+
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+ # moldeck
17
+
18
+ `moldeck` is a private molecular modelling workflow package by Koji Okuwaki:
19
+ generators and analysers for coarse-grained / DPD input, molecular fragmentation,
20
+ crystal and amorphous model building, and enhanced-sampling and binding-free-energy
21
+ workflows.
22
+
23
+ **This name is registered by the author. It is not a public distribution.**
24
+
25
+ This release intentionally contains **no importable modules** — installing it
26
+ gives you nothing but this description, and it will not shadow a real `moldeck`
27
+ installation.
28
+
29
+ ## Getting moldeck
30
+
31
+ `moldeck` is distributed privately, as an archive, to individually approved
32
+ recipients. It is proprietary: reuse, redistribution and modification require
33
+ the author's prior written permission. Please contact the author if you have a
34
+ reason to use it.
35
+
36
+ ## Public counterpart
37
+
38
+ The author's public package is
39
+ [**abmptools**](https://pypi.org/project/abmptools/) (Apache-2.0) —
40
+ pre/post-processing and analysis for ABINIT-MP Fragment Molecular Orbital
41
+ calculations, plus all-atom MD utilities. `moldeck` depends on `abmptools`;
42
+ the dependency runs one way only.
43
+
44
+ If you are looking for something to install, you want `abmptools`.
moldeck-0.0.1/moldeck.egg-info/SOURCES.txt ADDED
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+ README.md
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+ pyproject.toml
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+ moldeck.egg-info/PKG-INFO
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+ moldeck.egg-info/SOURCES.txt
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+ moldeck.egg-info/dependency_links.txt
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+ moldeck.egg-info/top_level.txt
moldeck-0.0.1/pyproject.toml ADDED
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+ [build-system]
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+ requires = ["setuptools>=64"]
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+ build-backend = "setuptools.build_meta"
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+
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+ [project]
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+ name = "moldeck"
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+ version = "0.0.1"
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+ description = "Name registration for moldeck, a privately distributed molecular modelling workflow package (no modules included)"
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+ readme = {file = "README.md", content-type = "text/markdown"}
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+ authors = [
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+ {name = "Koji Okuwaki", email = "koujioku81@gmail.com"},
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+ ]
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+ requires-python = ">=3.8"
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+ classifiers = [
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+ "Development Status :: 1 - Planning",
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+ "Intended Audience :: Science/Research",
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+ "License :: Other/Proprietary License",
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+ "Programming Language :: Python :: 3",
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+ "Topic :: Scientific/Engineering :: Chemistry",
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+ "Topic :: Scientific/Engineering :: Physics",
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+ ]
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+
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+ [project.urls]
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+ "Public counterpart (abmptools)" = "https://pypi.org/project/abmptools/"
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+
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+ # Deliberately ships no packages: this distribution must never shadow a real
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+ # `moldeck` installation on a recipient's machine.
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+ [tool.setuptools]
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+ packages = []
moldeck-0.0.1/setup.cfg ADDED
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+ [egg_info]
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+ tag_build =
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+ tag_date = 0
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+