gnnepcsaft-mcp-server 0.1.0__tar.gz → 0.1.1__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.

Potentially problematic release.

This version of gnnepcsaft-mcp-server might be problematic. Click here for more details.

Files changed (11) hide show
  1. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/PKG-INFO +6 -10
  2. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/README.md +4 -8
  3. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/mcp_server.py +2 -0
  4. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/pyproject.toml +3 -3
  5. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/__init__.py +0 -0
  6. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/models/.gitignore +0 -0
  7. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/models/assoc_8.onnx +0 -0
  8. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/models/assoc_8.onnx.data +0 -0
  9. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/models/msigmae_7.onnx +0 -0
  10. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/models/msigmae_7.onnx.data +0 -0
  11. {gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/utils.py +0 -0
{gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.3
2
2
  Name: gnnepcsaft-mcp-server
3
- Version: 0.1.0
3
+ Version: 0.1.1
4
4
  Summary: Model Context Protocol server for GNNePCSAFT tools
5
5
  License: GNU General Public License v3.0
6
6
  Author: wildsonbbl
@@ -13,7 +13,7 @@ Classifier: Programming Language :: Python :: 3.11
13
13
  Classifier: Programming Language :: Python :: 3.12
14
14
  Classifier: Programming Language :: Python :: 3.13
15
15
  Requires-Dist: feos (>=0.8.0,<0.9.0)
16
- Requires-Dist: gnnepcsaft (>=0.2.2,<0.3.0)
16
+ Requires-Dist: gnnepcsaft (>=0.2.4)
17
17
  Requires-Dist: mcp (>=1.6.0,<2.0.0)
18
18
  Requires-Dist: numpy (>=2.2.4,<3.0.0)
19
19
  Requires-Dist: onnxruntime (>=1.21.0,<2.0.0)
@@ -36,22 +36,18 @@ This is the Model Context Protocol ([MCP](https://modelcontextprotocol.io/introd
36
36
 
37
37
  ## Installation
38
38
 
39
- You're gonna need [pipx](https://pipx.pypa.io/latest/installation/) for this.
40
-
41
- ```bash
42
- pipx install gnnepcsaft-mcp-server
43
- ```
39
+ You're gonna need [uvx](https://docs.astral.sh/uv/).
44
40
 
45
41
  ## Usage
46
42
 
47
- stdio command to start the MCP server:
43
+ stdio config to start the MCP server:
48
44
 
49
45
  ```json
50
46
  {
51
47
  "mcpServers": {
52
48
  "gnnepcsaft": {
53
- "command": "gnnepcsaftmcp",
54
- "args": []
49
+ "command": "uvx",
50
+ "args": ["--from", "gnnepcsaft-mcp-server", "gnnepcsaftmcp"]
55
51
  }
56
52
  }
57
53
  }
{gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/README.md RENAMED
@@ -13,22 +13,18 @@ This is the Model Context Protocol ([MCP](https://modelcontextprotocol.io/introd
13
13
 
14
14
  ## Installation
15
15
 
16
- You're gonna need [pipx](https://pipx.pypa.io/latest/installation/) for this.
17
-
18
- ```bash
19
- pipx install gnnepcsaft-mcp-server
20
- ```
16
+ You're gonna need [uvx](https://docs.astral.sh/uv/).
21
17
 
22
18
  ## Usage
23
19
 
24
- stdio command to start the MCP server:
20
+ stdio config to start the MCP server:
25
21
 
26
22
  ```json
27
23
  {
28
24
  "mcpServers": {
29
25
  "gnnepcsaft": {
30
- "command": "gnnepcsaftmcp",
31
- "args": []
26
+ "command": "uvx",
27
+ "args": ["--from", "gnnepcsaft-mcp-server", "gnnepcsaftmcp"]
32
28
  }
33
29
  }
34
30
  }
{gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/gnnepcsaft_mcp_server/mcp_server.py RENAMED
@@ -4,6 +4,7 @@ from typing import Any, Callable, List
4
4
 
5
5
  from gnnepcsaft.data.rdkit_util import inchitosmiles, mw, smilestoinchi
6
6
  from gnnepcsaft.epcsaft.epcsaft_feos import (
7
+ critical_points_feos,
7
8
  mix_den_feos,
8
9
  mix_vp_feos,
9
10
  pure_den_feos,
@@ -28,6 +29,7 @@ fn_list: List[Callable[..., Any]] = [
28
29
  prediction,
29
30
  inchitosmiles,
30
31
  pure_h_lv_feos,
32
+ critical_points_feos,
31
33
  ]
32
34
  for fn in fn_list:
33
35
  mcp.add_tool(fn)
{gnnepcsaft_mcp_server-0.1.0 → gnnepcsaft_mcp_server-0.1.1}/pyproject.toml RENAMED
@@ -1,6 +1,6 @@
1
1
  [project]
2
2
  name = "gnnepcsaft-mcp-server"
3
- version = "0.1.0"
3
+ version = "0.1.1"
4
4
  description = "Model Context Protocol server for GNNePCSAFT tools"
5
5
  authors = [
6
6
  {name = "wildsonbbl",email = "wil_bbl@hotmail.com"}
@@ -11,11 +11,11 @@ requires-python = ">=3.10"
11
11
  dependencies = [
12
12
  "numpy (>=2.2.4,<3.0.0)",
13
13
  "onnxruntime (>=1.21.0,<2.0.0)",
14
- "gnnepcsaft (>=0.2.2,<0.3.0)",
14
+ "gnnepcsaft (>=0.2.4)",
15
15
  "mcp (>=1.6.0,<2.0.0)",
16
16
  "rdkit (>=2024.9.6,<2025.0.0)",
17
17
  "feos (>=0.8.0,<0.9.0)",
18
- "si-units (>=0.11.0,<0.12.0)"
18
+ "si-units (>=0.11.0,<0.12.0)",
19
19
  ]
20
20
 
21
21
  [project.scripts]