commit 22a90e10d87808345a5b7230cc3649be2c54daba · anil.recoil.org/opam-repository

+61

packages/lbvs_consent/lbvs_consent.2.1.2/opam

···

       1
       +
       opam-version: "2.0"

     

       2
       +
       authors: "Francois Berenger"

     

       3
       +
       maintainer: "unixjunkie@sdf.org"

     

       4
       +
       homepage: "https://github.com/UnixJunkie/consent"

     

       5
       +
       bug-reports: "https://github.com/UnixJunkie/consent/issues"

     

       6
       +
       dev-repo: "git+https://github.com/UnixJunkie/consent.git"

     

       7
       +
       license: "GPL"

     

       8
       +
       build: [

     

       9
       +
         [make "obmaccs"]

     

       10
       +
         ["dune" "build" "-p" name "-j" jobs]

     

       11
       +
       ]

     

       12
       +
       install: [

     

       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
       +
       ]

     

       16
       +
       depends: [

     

       17
       +
         "dune" {>= "1.6"}

     

       18
       +
         "batteries"

     

       19
       +
         "bitv" {>= "1.2"}

     

       20
       +
         "parmap"

     

       21
       +
         "dolog" {>= "4.0.0"}

     

       22
       +
         "camlzip"

     

       23
       +
         "qcheck"

     

       24
       +
         "minivpt"

     

       25
       +
         "cpm"

     

       26
       +
         "dokeysto_camltc"

     

       27
       +
         "minicli" {>= "5.0.0"}

     

       28
       +
         "conf-boost"

     

       29
       +
         "conf-openbabel"

     

       30
       +
         "conf-python-3"

     

       31
       +
         "conf-rdkit"

     

       32
       +
       ]

     

       33
       +
       synopsis: "Chemoinformatics software for consensus fingerprint queries"

     

       34
       +
       description: """

     

       35
       +
       Chemoinformatics software to do similarity searches using consensus

     

       36
       +
       fingerprint queries.

     

       37
       +
       

     

       38
       +
       For more details, see the README on github:

     

       39
       +
       

     

       40
       +
       https://github.com/UnixJunkie/consent

     

       41
       +
       

     

       42
       +
       Please cite the corresponding paper in case you use this software

     

       43
       +
       and publish about your results:

     

       44
       +
       

     

       45
       +
       @article{Berenger2017,

     

       46
       +
         title={Consensus queries in ligand-based virtual screening experiments},

     

       47
       +
         author={Berenger, Francois and Vu, Oanh and Meiler, Jens},

     

       48
       +
         journal={Journal of Cheminformatics},

     

       49
       +
         volume={9},

     

       50
       +
         number={1},

     

       51
       +
         pages={60},

     

       52
       +
         year={2017},

     

       53
       +
         publisher={BioMed Central},

     

       54
       +
         doi={10.1186/s13321-017-0248-5},

     

       55
       +
       }

     

       56
       +
       """

     

       57
       +
       url {

     

       58
       +
         src: "https://github.com/UnixJunkie/consent/archive/v2.1.2.tar.gz"

     

       59
       +
         checksum: "md5=c5781fa8303fba1a661c03ded74cc87b"

     

       60
       +
       }

     

       61
       +