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opam
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opam
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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"
patches: ["makefile.patch"]
build: [
[make "obmaccs"]
["dune" "build" "-p" name "-j" jobs]
]
install: [
["cp" "bin/lbvs_consent_ecfp4.py" "%{bin}%/lbvs_consent_ecfp4.py"]
["cp" "src/lbvs_consent_ob_maccs" "%{bin}%/lbvs_consent_ob_maccs"]
]
depends: [
"dune" {>= "1.6"}
"batteries" {>= "3.0.0"}
"bitv" {>= "1.2"}
"parmap" {>= "1.1.1"}
"dolog" {>= "4.0.0"}
"camlzip" {>= "1.06"}
"qcheck"
"minivpt" {>= "2.0.0"}
"cpm" {>= "4.0.0"}
"dokeysto_camltc"
"minicli" {>= "5.0.0"}
"conf-boost"
"conf-openbabel"
"conf-python-3"
"conf-rdkit"
"conf-pkg-config"
]
synopsis: "Chemoinformatics software for consensus fingerprint queries"
description: """
Chemoinformatics software to do similarity searches using consensus
fingerprint queries.
For more details, see the README on github:
https://github.com/UnixJunkie/consent
Please cite the corresponding paper in case you use this software
and publish about your results:
@article{Berenger2017,
title={Consensus queries in ligand-based virtual screening experiments},
author={Berenger, Francois and Vu, Oanh and Meiler, Jens},
journal={Journal of Cheminformatics},
volume={9},
number={1},
pages={60},
year={2017},
publisher={BioMed Central},
doi={10.1186/s13321-017-0248-5},
}
"""
extra-files: [
["makefile.patch" "md5=01bf7fbabdfd52ea6217db33ce25dfa7"]
]
url {
src: "https://github.com/UnixJunkie/consent/archive/v2.1.2.tar.gz"
checksum: "md5=c5781fa8303fba1a661c03ded74cc87b"
}