python314Packages.openmm 8.6.1 single
Toolkit for molecular simulation using high performance GPU code
- Name
openmm-8.6.1- Package set
- python314Packages
- Homepage
- https://openmm.org/
- License
- GPL-3.0-or-later, LGPL-3.0-or-later, MIT
- Main program
TestReferenceHarmonicBondForce- Source
- pkgs/by-name/op/openmm/package.nix:134
- Derivation
/nix/store/3asv7bqj6cprw45dy0lj3n49cnq2l9n8-openmm-8.6.1.drv
Maintainers 1
| Handle | Name | Contact | Via |
|---|---|---|---|
| sheepforce | Phillip Seeber | GitHub · phillip.seeber@googlemail.com | listed on package |
Dependencies 17
| Package | As | Maintainers | Used by (transitive) | Status |
|---|---|---|---|---|
| python3 3.14.7 | propagatedBuildInputs | 72,537 | team-only | |
| python314Packages.cython 3.2.5 | propagatedBuildInputs | 65,206 | unmaintained | |
| python314Packages.numpy 2.5.2 | propagatedBuildInputs | 11,439 | single | |
| python314Packages.setuptools 83.0.0 | propagatedBuildInputs | 71,381 | team-only | |
| fftwFloat 3.3.11 | buildInputs | 14,922 | unmaintained | |
| ocl-icd 2.3.5 | buildInputs | 14,112 | single | |
| opencl-headers 2026.05.29 | buildInputs | 14,147 | single | |
| cmake 4.4.3 | nativeBuildInputs | 68,875 | unmaintained | |
| doxygen 1.17.0 | nativeBuildInputs | 21,468 | unmaintained | |
| gfortran 16.2.0 | nativeBuildInputs | 18,237 | team-only | |
| graphviz 15.1.1 | nativeBuildInputs | 16,055 | maintained | |
| python314Packages.build 1.5.1 | nativeBuildInputs | 71,474 | maintained | |
| python314Packages.installer 1.0.1 | nativeBuildInputs | 71,695 | maintained | |
| python314Packages.wheel 0.47.0 | nativeBuildInputs | 71,667 | single | |
| swig 4.4.1 | nativeBuildInputs | 75,473 | single | |
| bashNonInteractive 5.3p15 | other input | 102,441 | maintained | |
| stdenv 26.05pre-git | other input | 90,330 | team-only |
Used by 2 directly, 2 transitively
| Package | As | Maintainers | Used by (transitive) | Status |
|---|---|---|---|---|
| python314Packages.openmm-torch 1.5.1 | propagatedBuildInputs | 0 | single | |
| python314Packages.pdbfixer 1.12 | propagatedBuildInputs | 0 | single |