gnnepcsaft-mcp-server 0.1.0__py3-none-any.whl → 0.1.1__py3-none-any.whl

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@@ -4,6 +4,7 @@ from typing import Any, Callable, List
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  from gnnepcsaft.data.rdkit_util import inchitosmiles, mw, smilestoinchi
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  from gnnepcsaft.epcsaft.epcsaft_feos import (
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+ critical_points_feos,
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  mix_den_feos,
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  mix_vp_feos,
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  pure_den_feos,
@@ -28,6 +29,7 @@ fn_list: List[Callable[..., Any]] = [
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  prediction,
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  inchitosmiles,
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  pure_h_lv_feos,
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+ critical_points_feos,
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  ]
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  for fn in fn_list:
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  mcp.add_tool(fn)
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.3
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  Name: gnnepcsaft-mcp-server
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- Version: 0.1.0
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+ Version: 0.1.1
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  Summary: Model Context Protocol server for GNNePCSAFT tools
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  License: GNU General Public License v3.0
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  Author: wildsonbbl
@@ -13,7 +13,7 @@ Classifier: Programming Language :: Python :: 3.11
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  Classifier: Programming Language :: Python :: 3.12
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  Classifier: Programming Language :: Python :: 3.13
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  Requires-Dist: feos (>=0.8.0,<0.9.0)
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- Requires-Dist: gnnepcsaft (>=0.2.2,<0.3.0)
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+ Requires-Dist: gnnepcsaft (>=0.2.4)
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  Requires-Dist: mcp (>=1.6.0,<2.0.0)
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  Requires-Dist: numpy (>=2.2.4,<3.0.0)
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  Requires-Dist: onnxruntime (>=1.21.0,<2.0.0)
@@ -36,22 +36,18 @@ This is the Model Context Protocol ([MCP](https://modelcontextprotocol.io/introd
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  ## Installation
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- You're gonna need [pipx](https://pipx.pypa.io/latest/installation/) for this.
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-
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- ```bash
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- pipx install gnnepcsaft-mcp-server
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- ```
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+ You're gonna need [uvx](https://docs.astral.sh/uv/).
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  ## Usage
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- stdio command to start the MCP server:
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+ stdio config to start the MCP server:
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  ```json
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  {
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  "mcpServers": {
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  "gnnepcsaft": {
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- "command": "gnnepcsaftmcp",
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- "args": []
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+ "command": "uvx",
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+ "args": ["--from", "gnnepcsaft-mcp-server", "gnnepcsaftmcp"]
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  }
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  }
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  }
@@ -1,12 +1,12 @@
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  gnnepcsaft_mcp_server/__init__.py,sha256=Npbt9RPLtKrFDK-oeyrAbz0b7lg9Y1Le1mxAQVtD_PY,24
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- gnnepcsaft_mcp_server/mcp_server.py,sha256=rkWyUA5_tZY9ArhwFObccShaq5jMNF9RQruuk7a7OrM,768
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+ gnnepcsaft_mcp_server/mcp_server.py,sha256=W-W-C8f2Na7Z6UKFipnrqZlsOkiUkjUve_I4OIra33Q,820
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  gnnepcsaft_mcp_server/models/.gitignore,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  gnnepcsaft_mcp_server/models/assoc_8.onnx,sha256=FBSU3cP1NyelkwCtLaWVhaeX8QuzQGp6Mf3lSV97mzE,2287889
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  gnnepcsaft_mcp_server/models/assoc_8.onnx.data,sha256=AMg5VrBZi1F-kZ_YAQay_BDaQQtbs8ihfn4BgWbYzeM,11468800
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  gnnepcsaft_mcp_server/models/msigmae_7.onnx,sha256=TiKHrwBbNPyoOeeRQ_W_xnEqEtopmI_FIBtZJyN4afk,2288073
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  gnnepcsaft_mcp_server/models/msigmae_7.onnx.data,sha256=kExPbT75jMLRAYRQQZ8WPeY0rYvAfDZx-Bnji_dLJ1s,11469056
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  gnnepcsaft_mcp_server/utils.py,sha256=Be62JR9tfJiCP3BOaRExGcetu1Q3xoFAps6r_JXw0nM,4288
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- gnnepcsaft_mcp_server-0.1.0.dist-info/METADATA,sha256=z4r5A-MtvI73bLP00VEqs56fsRpcJbbHqSrUOF4tBTg,1694
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- gnnepcsaft_mcp_server-0.1.0.dist-info/WHEEL,sha256=fGIA9gx4Qxk2KDKeNJCbOEwSrmLtjWCwzBz351GyrPQ,88
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- gnnepcsaft_mcp_server-0.1.0.dist-info/entry_points.txt,sha256=5tsnxZG8Vtdrr3CT-8Pv35RjpcDiR0L28cYxxHeCsPI,70
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- gnnepcsaft_mcp_server-0.1.0.dist-info/RECORD,,
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+ gnnepcsaft_mcp_server-0.1.1.dist-info/METADATA,sha256=sHhC1mq3oNsZDGR4Au0RAWmjOT4wmBk9THiOVlfo3wg,1653
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+ gnnepcsaft_mcp_server-0.1.1.dist-info/WHEEL,sha256=fGIA9gx4Qxk2KDKeNJCbOEwSrmLtjWCwzBz351GyrPQ,88
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+ gnnepcsaft_mcp_server-0.1.1.dist-info/entry_points.txt,sha256=5tsnxZG8Vtdrr3CT-8Pv35RjpcDiR0L28cYxxHeCsPI,70
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+ gnnepcsaft_mcp_server-0.1.1.dist-info/RECORD,,