Jhsmit / PyHDX

Derive ΔG for single residues from HDX-MS data
http://pyhdx.readthedocs.io
MIT License
28 stars 12 forks source link

new issue #292

Closed JZbacklife1 closed 2 years ago

JZbacklife1 commented 2 years ago

i try to install the pyHDX, but it shows

twisted 18.7.0 requires PyHamcrest>=1.9.0, which is not installed. panel 0.13.1 has requirement bokeh<2.5.0,>=2.4.0, but you'll have bokeh 0.13.0 which is incompatible. panel 0.13.1 has requirement tqdm>=4.48.0, but you'll have tqdm 4.26.0 which is incompatible. Installing collected packages: typing-extensions, torch, hdxrate, zipp, importlib-metadata, markdown, param, pyct, pyviz-comms, panel, pbr, sympy, toposort, symfit, pyhdx Found existing installation: sympy 1.1.1 Cannot uninstall 'sympy'. It is a distutils installed project and thus we cannot accurately determine which files belong to it which would lead to only a partial uninstall.

suggestions? thanks

Jhsmit commented 2 years ago

Hi, thanks for reaching out

Are you using a new clean virtual / conda env to install PyHDX in? Which command are you using to install PyHDX?

JZbacklife1 commented 2 years ago

hi Jhsmit, i successfully go through most of the step but not the last one: ImportError: cannot import name '_validate_lengths' from 'numpy.lib.arraypad' (C:\Users\zj\Anaconda3\lib\site-packages\numpy\lib\arraypad.py) why it shows up? dont know how to fix this since i want to pop up the web server

thanks

Jhsmit commented 2 years ago

Which version of numpy did you install? There are pinned versions in dev/deps/pinned which should work There I've used numpy==1.22.3

JZbacklife1 commented 2 years ago

i think there is no numpy in the dev/deps/pinned folder which only includes py38 windows pip.tex file

so in this case i need to install numpy myself?

thanks

JZbacklife1 commented 2 years ago

Hi Jhsmit, pls make the install instructions more clearly and i feel i am a few steps to finishline

thx

Jhsmit commented 2 years ago

I've updated the installation documentation (#294) There was a duplicate section there causing confusion

Please have a look to see if it helps.

Are you sure you need to install the development version? Otherwise I would recommend installing the stable version, which will be much easier.

JZbacklife1 commented 2 years ago

hi Jhsmit

it still very confusing since there are some other typo errors like req-base.txt instead of _req-base.txt file name issues as well the location of the files in the folder dir. I can go through half of the steps but stop here, any suggestions?

thanks

(py38_pyhdx) C:\PyHDX\requirements>conda install --file req-base.txt --file req-base.txt Collecting package metadata (current_repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve. Collecting package metadata (repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve.

PackagesNotFoundError: The following packages are not available from current channels:

Current channels:

To search for alternate channels that may provide the conda package you're looking for, navigate to

https://anaconda.org

and use the search bar at the top of the page.

(py38_pyhdx) C:\PyHDX\requirements>cd..

(py38_pyhdx) C:\PyHDX>python pyhdx/web/serve.py Traceback (most recent call last): File "pyhdx/web/serve.py", line 5, in import numpy as np ModuleNotFoundError: No module named 'numpy'

Jhsmit commented 2 years ago

I can't find any of the typo errors anymore in the lastest version of the docs. If you see them please point out exactly where in a separate issue so that i can fix them

with respect to the installation, you need to add conda-forge as channel to install the dependencies

$ conda install --file requirements/req-all.txt -c conda-forge
Jhsmit commented 2 years ago

closing issue, feel free to create new issues if you encounter additional problems