opam-version: "2.0"
authors: "Francois Berenger"
maintainer: "unixjunkie@sdf.org"
homepage: "https://github.com/UnixJunkie/ACPC"
bug-reports: "https://github.com/UnixJunkie/ACPC/issues"
license: "BSD-3-Clause"
dev-repo: "git+https://github.com/UnixJunkie/ACPC.git"
build: ["dune" "build" "-p" name "-j" jobs]
depends: [
  "base-unix"
  "batteries"
  "bitv"
  "conf-autoconf"
  "conf-gnuplot"
  "dolog"
  "dune" {>= "1.11"}
  "ocaml" {>= "5.0.0"}
  "parany" {>= "11"}
  "vector3"
]
synopsis: "Chemoinformatics tool for ligand-based virtual screening"
description: """
AutoCorrelation of Partial Charges (ACPC)

Bibliography
============

Berenger, F., Voet, A., Lee, X. Y., & Zhang, K. Y. (2014).
A Rotation-Translation Invariant Molecular Descriptor of Partial Charges
and its Use in Ligand-Based Virtual Screening.
Journal of Cheminformatics, 6(1), 1-12.
https://doi.org/10.1186/1758-2946-6-23
"""
url {
  src: "https://github.com/UnixJunkie/ACPC/archive/refs/tags/v2.0.0.tar.gz"
  checksum: [
    "sha256=6ebf7622199a80df013db6349064c2e4336169b9230cf4ad11aa1308d408d481"
    "md5=a3a716d3fee8e5a34af24ec945686870"
  ]
}