mirror of https://gitlab.com/scemama/qmcchem.git
124 lines
2.5 KiB
OCaml
124 lines
2.5 KiB
OCaml
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(** QMC=Chem installation directory *)
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let root = lazy (
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try Sys.getenv "QMCCHEM_PATH" with
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| Not_found -> 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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try Sys.getenv "PATH" with
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| Not_found -> failwith "PATH environment variable is not set"
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in
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String.split_on_char ':' 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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if Sys.file_exists fp then
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Some fp
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else
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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 mpirun = lazy (
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try
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Sys.getenv "QMCCHEM_MPIRUN"
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with
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| Not_found -> "mpirun"
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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 qmcchem_info = lazy(
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Filename.concat (Lazy.force root) "bin/qmcchem_info"
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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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| _ -> "127.0.0.1"
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)
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external get_ipv4_address_for_interface : string -> string =
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"get_ipv4_address_for_interface"
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let ip_address = lazy (
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let interface =
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try Some (Sys.getenv "QMCCHEM_NIC")
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with Not_found -> None
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in
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match interface with
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| None ->
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begin
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try
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let host =
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Lazy.force hostname
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|> Unix.gethostbyname
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in
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Unix.string_of_inet_addr host.h_addr_list.(0);
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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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let result = get_ipv4_address_for_interface interface in
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if String.sub result 0 5 = "error" then
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Printf.sprintf "Unable to use network interface %s" interface
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|> failwith
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else
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result
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)
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let binary_io =
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try
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let qmcchem_io = Sys.getenv "QMCCHEM_IO" in
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qmcchem_io = "B" || qmcchem_io = "b"
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with Not_found -> false
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