Metadata-Version: 2.4
Name: rapmat
Version: 0.1.1b0
Summary: Rapmat rapid materials discovery
Project-URL: Homepage, https://github.com/milevevvvv/rapmat
Author-email: Michael Levenets <milevev256@gmail.com>
License-Expression: GPL-3.0-or-later
License-File: LICENSE
Requires-Python: >=3.12
Requires-Dist: ase>=3.27.0
Requires-Dist: chemparse>=0.3.2
Requires-Dist: dscribe==2.1.2
Requires-Dist: matplotlib>=3.8.0
Requires-Dist: matscipy>=1.2.0
Requires-Dist: numba>=0.63.1
Requires-Dist: phonopy>=2.47.1
Requires-Dist: platformdirs>=4.9.4
Requires-Dist: pydantic>=2.12.5
Requires-Dist: pymatgen>=2025.10.7
Requires-Dist: pytest>=8.0.0
Requires-Dist: pyxtal>=1.1.2
Requires-Dist: seekpath>=2.2.1
Requires-Dist: spglib>=2.7.0
Requires-Dist: surrealdb>=2.0.0a1
Requires-Dist: torch<2.10.0,>=2.9.0
Requires-Dist: torchvision>=0.24.1
Requires-Dist: urwid>=2.6.0
Provides-Extra: all-calculators
Requires-Dist: mattersim>=1.2.0; extra == 'all-calculators'
Requires-Dist: nequip>=0.16.2; extra == 'all-calculators'
Requires-Dist: upet; extra == 'all-calculators'
Provides-Extra: mattersim
Requires-Dist: mattersim>=1.2.0; extra == 'mattersim'
Provides-Extra: nequip
Requires-Dist: nequip>=0.16.2; extra == 'nequip'
Provides-Extra: upet
Requires-Dist: upet; extra == 'upet'
Description-Content-Type: text/markdown

## Installation

Install `pytorch<2.10.0` with CUDA support if you have an NVIDIA GPU otherwise skip this step:

```bash
pip install torch==2.9.1 torchvision --index-url https://download.pytorch.org/whl/cu126
```

Then install rapmat:

```bash
# Basic install
pip install rapmat

# MatterSim support
pip install rapmat[mattersim]

# NequIP support
pip install rapmat[nequip]

# uPET support
pip install rapmat[upet]

# All calculator backends at once
pip install rapmat[all-calculators]
```

## Usage

Just run it's TUI:

```bash
rapmat
```
