opam-version: "2.0"
authors: "Francois BERENGER"
maintainer: "unixjunkie@sdf.org"
homepage: "https://github.com/UnixJunkie/consent"
bug-reports: "https://github.com/UnixJunkie/consent/issues"
dev-repo: "git+https://github.com/UnixJunkie/consent.git"
license: "GPL-1.0-or-later"
build: [
  [make "obmaccs"]
  ["obuild" "configure"]
  ["obuild" "build" "exe-lbvs_consent"]
  ["obuild" "build" "exe-lbvs_consent_mop2di"]
  ["obuild" "build" "exe-lbvs_consent_mop2de"]
]
depends: [
  "ocaml"
  "batteries"
  "bitv" {>= "1.2"}
  "camlzip" {>= "1.06"}
  "conf-boost"
  "conf-openbabel"
  "conf-python-2-7"
  "conf-rdkit"
  "cpm" {< "4.0.0"}
  "dolog" {< "4.0.0"}
  "minivpt"
  "obuild" {build}
  "parmap"
  "qcheck" {build & < "0.8"}
  "qtest" {build}
  "ounit" {< "2.1"}
]
synopsis:
  "Chemoinformatics software for Ligand-Based Virtual Screening (LBVS) using consensus queries."
description: """
Similarity search for molecules using several known active molecules
(for a protein of interest) instead of a single query search.
Details can be found in the paper:
"Consensus queries in ligand-based virtual screening experiments".
F. Berenger, O. Vu and J., Meiler.
Journal of Cheminformatics, November 2017."""
extra-files: ["lbvs_consent.install" "md5=7d9d2bbfc6cbd3e03eb2ab9218c55780"]
url {
  src: "https://github.com/UnixJunkie/consent/archive/v1.1.2.tar.gz"
  checksum: "md5=26c77469380e0636c3a825ebc67b303d"
}
