Third Party Notice for lignova¶
lignova is licensed under the Apache License, Version 2.0. See LICENSE.md. Copyright 2026 University of Pittsburgh — Of the Commonwealth System of Higher Education. Developed at the Durrant Lab, University of Pittsburgh.
What this file is¶
lignova is distributed as source code under the Apache License, Version 2.0. It does not bundle, vendor, embed, link against, or otherwise redistribute any of the third-party packages named below. Those packages are resolved and downloaded by pixi, on the user's machine, from conda-forge and PyPI when the environment is created. Each one arrives from its own channel under its own license, and lignova is not a distributor of any of them.
This file is an attribution and license inventory for lignova's dependencies. It
is not a notice accompanying redistributed software. It is here so that anyone
who installs the environments — or who builds something that does redistribute
these packages, such as a container image or a packed environment — can see which
licenses apply and read their terms in one place. The inventory covers the
default and mgltools pixi environments; each entry records which of them the
package came from.
License text is copied verbatim from the packages as installed and is never
generated or rewritten. Where a channel's license metadata disagrees with the
license text the package actually ships, the text governs and the discrepancy is
recorded in the entry. Do not edit this file by hand; regenerate it with
pixi run licenses.
Copyleft dependencies¶
The dependencies below are copyleft-licensed. lignova does not redistribute any of them, does not modify any of them, and ships no compiled artifact into which any of them could be linked. Anyone who redistributes a built environment containing them takes on the corresponding obligations; this project does not.
| Component | License |
|---|---|
| MDAnalysis | LGPL-3.0-or-later (contributions LGPL-2.1-or-later) |
| GridDataFormats | LGPL-3.0-or-later |
| Meeko | LGPL-2.1-only |
| propka | LGPL-2.1 |
| pyedr | LGPL-2.1-or-later |
| pycairo | LGPL-2.1-only OR MPL-1.1 |
| gemmi | MPL-2.0 (elected; dual-licensed MPL-2.0 / LGPL-3.0 upstream) |
| Open Babel | GPL-2.0-only |
| libgcc, libgfortran | GPL-3.0-only WITH GCC-exception-3.1 |
| libfreetype | GPL-2.0-only OR FTL |
| tqdm | MPL-2.0 AND MIT |
gemmi is offered by its authors under a choice of MPL-2.0 or LGPL-3.0. lignova uses gemmi under the MPL-2.0. The MPL's copyleft is file-scoped and is triggered only by modifying gemmi's own source files, which lignova does not do.
External programs¶
All docking in lignova is performed by GNINA, and receptor preparation uses MGLTools. Both are run as separate programs, invoked as child processes that exchange files with lignova; neither is imported or linked into lignova.
Neither is part of the default environment, and they arrive by different routes.
pixi installs MGLTools as a conda package into the separate mgltools
environment. GNINA is not packaged: pixi run setup-gnina builds it from its own
upstream source on the user's machine, using the compiler and CUDA toolchain pixi
installs into the separate gnina environment.
lignova redistributes neither program. In both cases the software is fetched and,
for GNINA, compiled on the user's machine, from its own upstream, under its own
license. A locally built GNINA links libraries from the gnina environment,
including Open Babel (GPL-2.0-only); anyone who redistributes such a build,
rather than building it locally as lignova's tooling does, should review those
terms.