mirror of https://gitlab.com/scemama/qmcchem.git
113 lines
2.3 KiB
OCaml
113 lines
2.3 KiB
OCaml
open Core.Std;;
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(** QMC=Chem installation directory *)
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let root = lazy (
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match ( Sys.getenv "QMCCHEM_PATH" ) with
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| Some x -> x
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| None -> failwith "QMCCHEM_PATH environment variable not set"
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)
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(* PATH environment variable as a list of strings *)
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let path = lazy (
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let p =
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match Sys.getenv "PATH" with
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| None -> failwith "PATH environment variable is not set"
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| Some p -> p
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in
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String.split ~on:':' p
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)
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(* Full path of a binary taken from the PATH *)
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let full_path exe =
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let rec in_path_rec = function
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| [] -> None
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| head :: tail ->
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begin
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let fp =
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Filename.concat head exe
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in
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match (Sys.is_file fp) with
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| `Yes -> Some fp
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| _ -> in_path_rec tail
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end
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in
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Lazy.force path
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|> in_path_rec
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(* True if an executable is in the PATH *)
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let in_path x =
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match (full_path x) with
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| Some _ -> true
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| None -> false
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let has_parallel = lazy( in_path "parallel" )
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let has_mpirun = lazy( in_path "mpirun" )
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let has_srun = lazy( in_path "parallel" )
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let has_qmc = lazy( in_path "qmc" )
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let has_qmc_mic = lazy( in_path "qmc_mic" )
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let mpirun = lazy (
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match Sys.getenv "QMCCHEM_MPIRUN" with
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| None -> "mpirun"
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| Some p -> p
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)
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let qmcchem = lazy(
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Filename.concat (Lazy.force root) "bin/qmcchem"
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)
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and qmc = lazy(
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Filename.concat (Lazy.force root) "bin/qmc"
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)
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and qmc_mic = lazy(
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Filename.concat (Lazy.force root) "bin/qmc_mic"
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)
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and qmc_create_walkers = lazy(
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Filename.concat (Lazy.force root) "bin/qmc_create_walkers"
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)
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let dev_shm = "/dev/shm/"
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(** Name of the host on which the data server runs *)
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let hostname = lazy (
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try
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Unix.gethostname ()
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with
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| _ -> "localhost"
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)
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let ip_address = lazy (
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match Sys.getenv "QMCCHEM_NIC" with
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| None ->
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begin
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try
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Lazy.force hostname
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|> Unix.Inet_addr.of_string_or_getbyname
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|> Unix.Inet_addr.to_string
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with
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| Unix.Unix_error _ ->
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failwith "Unable to find IP address from host name."
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end
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| Some interface ->
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begin
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try
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ok_exn Linux_ext.get_ipv4_address_for_interface interface
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with
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| Unix.Unix_error _ ->
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Lazy.force hostname
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|> Unix.Inet_addr.of_string_or_getbyname
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|> Unix.Inet_addr.to_string
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end
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)
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