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anil.recoil.org
1opam-version: "2.0"
2authors: "Francois Berenger"
3maintainer: "unixjunkie@sdf.org"
4homepage: "https://github.com/UnixJunkie/consent"
5bug-reports: "https://github.com/UnixJunkie/consent/issues"
6dev-repo: "git+https://github.com/UnixJunkie/consent.git"
7license: "GPL-1.0-or-later"
8build: [
9 [make "-C" "src"]
10 ["jbuilder" "build" "-p" name "-j" jobs]
11]
12install: [
13 ["cp" "bin/lbvs_consent_ecfp4.py" "%{bin}%/lbvs_consent_ecfp4.py"]
14 ["cp" "src/lbvs_consent_ob_maccs" "%{bin}%/lbvs_consent_ob_maccs"]
15]
16remove: [
17 ["rm" "-f" "%{bin}%/lbvs_consent_ecfp4.py"
18 "%{bin}%/lbvs_consent_ob_maccs"]
19]
20depends: [
21 "dune" {< "2.0"}
22 "batteries"
23 "bitv" {>= "1.2"}
24 "parmap"
25 "minicli" {>= "5.0.0"}
26 "dolog" {< "4.0.0"}
27 "camlzip"
28 "qcheck"
29 "minivpt"
30 "cpm"
31 "dokeysto_camltc"
32 "conf-boost"
33 "conf-openbabel"
34 "conf-python-2-7"
35 "conf-rdkit"
36]
37url {
38 src: "https://github.com/UnixJunkie/consent/archive/v2.0.1.tar.gz"
39 checksum: [
40 "sha256=e8b6fdeb11c34cb5eaf55015adf92c9b40488c32806104cb1418c70052c62b8a"
41 "md5=897eca0b2ee553a9edba1d0dc7b17e98"
42 ]
43}
44synopsis:
45 "Chemoinformatics software for Ligand-Based Virtual Screening (LBVS) using consensus fingerprint queries"
46description: """
47For more details, read the homepage on github:
48
49https://github.com/UnixJunkie/consent
50
51Please cite the corresponding paper (https://doi.org/10.1186/s13321-017-0248-5) in case you use this software and publish about your results (Consensus queries in ligand-based virtual screening experiments. F. Berenger, O. Vu and J., Meiler. Journal of Cheminformatics, November 2017)."""