不是所有这些代码吧
实在抱歉,我不知道怎么调用控制台
所以你那个环境是jupyter还是pluto notebook啥
REPL : cmd里输入julia
MARK: README里写了docker pull razaa/mpnn_charge_prediction_image:version1
不能理解你在干什么
Microsoft Windows [版本 10.0.19044.1766]
(c) Microsoft Corporation。保留所有权利。
C:\Users\rratic>julia
_
_ _ _(_)_ | Documentation: https://docs.julialang.org
(_) | (_) (_) |
_ _ _| |_ __ _ | Type "?" for help, "]?" for Pkg help.
| | | | | | |/ _` | |
| | |_| | | | (_| | | Version 1.6.1 (2021-04-23)
_/ |\__'_|_|_|\__'_| | Official https://julialang.org/ release
|__/ |
julia> using xxx
能否把REPL上所有东西都复制下?
不要放图,用代码块
```jl
julia> 1+1
我在弄您一开始说的,我不知道怎么弄

???
windows是吧,按windows+R,输入julia
然后依次写入你之前的代码
然后复制,保留显示的所有信息
```jl
黏贴到这里
```
Microsoft Windows [版本 10.0.19044.1706]
(c) Microsoft Corporation。保留所有权利。
C:\Users\zzh666>julia
_
_ _ ()_ | Documentation: https://docs.julialang.org
() | () () |
_ _ | | __ _ | Type “?” for help, “]?” for Pkg help.
| | | | | | |/ ` | |
| | || | | | (| | | Version 1.6.6 (2022-03-28)
/ |_‘|||_’_| | Official https://julialang.org/ release
|__/ |
julia> using PorousMaterials # use major_refactor branch.
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: forcefields path directory not found
│ path = “C:\Users\zzh666\data\forcefields”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: grids path directory not found
│ path = “C:\Users\zzh666\data\grids”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: molecules path directory not found
│ path = “C:\Users\zzh666\data\molecules”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: simulations path directory not found
│ path = “C:\Users\zzh666\data\simulations”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
julia> using Base
julia> using DataFrames
julia> using PyPlot
julia> using NPZ
julia> using CSV
julia> using LightGraphs
julia> using LinearAlgebra
julia> using Logging
julia> using Printf
julia> using DelimitedFiles
julia> using ProgressMeter
julia> using PyCall
julia> push!(LOAD_PATH, pwd()) # to see Bonds.jl
4-element Vector{String}:
“@”
“@v#.#”
“@stdlib”
“C:\Users\zzh666”
julia> using Bonds
ERROR: ArgumentError: Package Bonds not found in current path:
import Pkg; Pkg.add("Bonds")
to install the Bonds package.Stacktrace:
[1] require(into::Module, mod::Symbol)
@ Base .\loading.jl:893
julia> using Statistics
julia> # global_logger(Logging.SimpleLogger(stdout, Logging.Info)) # to print @debug put Logging.Debug
julia> global_logger(Logging.SimpleLogger(stdout, Logging.Debug)) # to print @debug put Logging.Debug
这样吗
这个是warning哎,不影响运行
pwd是当前路径,写所在位置。
using PorousMaterials
这个Bonds会自己调用,不需要提前写
把pwd()
去掉,直接用那个字符串
太感谢您的耐心指导,我要认真学julia语言
Microsoft Windows [版本 10.0.19044.1706]
(c) Microsoft Corporation。保留所有权利。
C:\Users\zzh666>julia
_
_ _ ()_ | Documentation: https://docs.julialang.org
() | () () |
_ _ | | __ _ | Type “?” for help, “]?” for Pkg help.
| | | | | | |/ ` | |
| | || | | | (| | | Version 1.6.6 (2022-03-28)
/ |_‘|||_’_| | Official https://julialang.org/ release
|__/ |
julia> using Base
julia> using DataFrames
julia> using PyPlot
julia> using NPZ
julia> using CSV
julia> using LightGraphs
julia> using LinearAlgebra
julia> using Logging
julia> using Printf
julia> using DelimitedFiles
julia> using ProgressMeter
julia> using PyCall
julia> push!(LOAD_PATH, “D:/julia/Bonds.jl”) # to see Bonds.jl
4-element Vector{String}:
“@”
“@v#.#”
“@stdlib”
“D:/julia/Bonds.jl”
julia> using Bonds
ERROR: ArgumentError: Package Bonds not found in current path:
import Pkg; Pkg.add("Bonds")
to install the Bonds package.Stacktrace:
[1] require(into::Module, mod::Symbol)
@ Base .\loading.jl:893
julia> using Statistics
julia> using PorousMaterials
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: forcefields path directory not found
│ path = “C:\Users\zzh666\data\forcefields”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: grids path directory not found
│ path = “C:\Users\zzh666\data\grids”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: molecules path directory not found
│ path = “C:\Users\zzh666\data\molecules”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: simulations path directory not found
│ path = “C:\Users\zzh666\data\simulations”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
julia> # global_logger(Logging.SimpleLogger(stdout, Logging.Info)) # to print @debug put Logging.Debug
julia> global_logger(Logging.SimpleLogger(stdout, Logging.Debug)) # to print @debug put Logging.Debug
这里第一个似乎是warning,第二个是error没截全(请截关键部分,应该是以caused by开头的)
也不需要之后再写
改成push!(LOAD_PATH, "D:/julia")
改了
在cmd里的报错是这样的
julia> using Bonds
[ Info: Precompiling Bonds [top-level]
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: forcefields path directory not found
│ path = “C:\Users\zzh666\data\forcefields”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: grids path directory not found
│ path = “C:\Users\zzh666\data\grids”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: molecules path directory not found
│ path = “C:\Users\zzh666\data\molecules”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: simulations path directory not found
│ path = “C:\Users\zzh666\data\simulations”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
ERROR: LoadError: ArgumentError: provide a valid sink argument, like using DataFrames; CSV.read(source, DataFrame)
Stacktrace:
[1] read(source::String, sink::Nothing; copycols::Bool, kwargs::Base.Iterators.Pairs{Symbol, String, Tuple{Symbol}, NamedTuple{(:comment,), Tuple{String}}})
@ CSV C:\Users\zzh666.julia\packages\CSV\Zl2ww\src\CSV.jl:43
[2] cordero_covalent_atomic_radii()
@ Bonds D:\julia\Bonds.jl:14
[3] top-level scope
@ D:\julia\Bonds.jl:34
[4] include
@ .\Base.jl:384 [inlined]
[5] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt64}}, source::Nothing)
@ Base .\loading.jl:1235
[6] top-level scope
@ none:1
[7] eval
@ .\boot.jl:360 [inlined]
[8] eval(x::Expr)
@ Base.MainInclude .\client.jl:446
[9] top-level scope
@ none:1
in expression starting at D:\julia\Bonds.jl:1
ERROR: Failed to precompile Bonds [top-level] to C:\Users\zzh666.julia\compiled\v1.6\jl_C1C8.tmp.
Stacktrace:
[1] error(s::String)
@ Base .\error.jl:33
[2] compilecache(pkg::Base.PkgId, path::String, internal_stderr::Base.TTY, internal_stdout::Base.TTY, ignore_loaded_modules::Bool)
@ Base .\loading.jl:1385
[3] compilecache(pkg::Base.PkgId, path::String)
@ Base .\loading.jl:1329
[4] _require(pkg::Base.PkgId)
@ Base .\loading.jl:1043
[5] require(uuidkey::Base.PkgId)
@ Base .\loading.jl:936
[6] require(into::Module, mod::Symbol)
@ Base .\loading.jl:923
现在你有充足的理由*开发者了
把Bonds.jl第14行改成CSV.read("covalent_radii.csv", DataFrame; comment="#")
还有就是把using Base
去掉,没用
把14行改了
说是DataFrame没有定义
julia> push!(LOAD_PATH,“D:/julia”)
4-element Vector{String}:
“@”
“@v#.#”
“@stdlib”
“D:/julia”
julia> using Bonds
[ Info: Precompiling Bonds [top-level]
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: forcefields path directory not found
│ path = “C:\Users\zzh666\data\forcefields”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: grids path directory not found
│ path = “C:\Users\zzh666\data\grids”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: molecules path directory not found
│ path = “C:\Users\zzh666\data\molecules”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: crystals path directory not found
│ path = “C:\Users\zzh666\data\crystals”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: data path directory not found
│ path = “C:\Users\zzh666\data”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
┌ Warning: simulations path directory not found
│ path = “C:\Users\zzh666\data\simulations”
└ @ Xtals C:\Users\zzh666.julia\packages\Xtals\vIP0H\src\misc.jl:186
ERROR: LoadError: UndefVarError: DataFrame not defined
Stacktrace:
[1] cordero_covalent_atomic_radii()
@ Bonds D:\julia\Bonds.jl:14
[2] top-level scope
@ D:\julia\Bonds.jl:34
[3] include
@ .\Base.jl:384 [inlined]
[4] include_package_for_output(pkg::Base.PkgId, input::String, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt64}}, source::Nothing)
@ Base .\loading.jl:1235
[5] top-level scope
@ none:1
[6] eval
@ .\boot.jl:360 [inlined]
[7] eval(x::Expr)
@ Base.MainInclude .\client.jl:446
[8] top-level scope
@ none:1
in expression starting at D:\julia\Bonds.jl:1
ERROR: Failed to precompile Bonds [top-level] to C:\Users\zzh666.julia\compiled\v1.6\jl_6444.tmp.
Stacktrace:
[1] error(s::String)
@ Base .\error.jl:33
[2] compilecache(pkg::Base.PkgId, path::String, internal_stderr::Base.TTY, internal_stdout::Base.TTY, ignore_loaded_modules::Bool)
@ Base .\loading.jl:1385
[3] compilecache(pkg::Base.PkgId, path::String)
@ Base .\loading.jl:1329
[4] _require(pkg::Base.PkgId)
@ Base .\loading.jl:1043
[5] require(uuidkey::Base.PkgId)
@ Base .\loading.jl:936
[6] require(into::Module, mod::Symbol)
@ Base .\loading.jl:923