This repository is a fork of the Koes' lab pharmit from commit 49d2c0a.
We use pixi to manage our build environments, and wanted
pharmit installable as a simple pixi dependency. This repository exists to
make that possible: it builds the pharmit CLI against a modern conda-forge
toolchain and ships it as a prebuilt conda package that can be added to a pixi
environment in one line.
The source here is a snapshot of upstream pharmit at commit 49d2c0a, not a git fork — it does not track or pull upstream changes. This repository is not intended for new feature development; it exists for buildability and packaging only.
Warning
The web server is not included in this build. The upstream server
command (which powers the hosted pharmit.csb.pitt.edu web interface via
FastCGI) has been deliberately removed, because its dependencies (cgicc,
fcgi) are not available on conda-forge. This build provides the
command-line tools only: pharma, dbcreate, and dbsearch.
Running pharmit server will print the help text and exit rather than
starting a server. If you need the web interface, use the upstream pharmit
distribution instead.
Install the prebuilt CLI into a pixi project directly from a
release (Linux-64). Grab the latest .conda asset URL from the
Releases page and:
pixi add https://github.com/durrantlab/pharmit-pixi/releases/download/v0.1.3/pharmit-0.1.3-h41f06ac_0.condapixi pulls the runtime dependencies (OpenBabel, Boost, etc.) from conda-forge automatically.
Then:
pixi run pharmit dbsearch -dbdir=DB -in=query.json -out=hits.sdfNote
The package is built for linux-64 only. macOS and Windows users would require separate platform builds.