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CDDLeiden / DrugEx

De Novo Drug Design with RNNs and Transformers
https://cddleiden.github.io/DrugEx/docs/
MIT License
120 stars 16 forks source link

unable to install #9

Open shuvadipkhanra opened 3 months ago

shuvadipkhanra commented 3 months ago

pip install git+https://github.com/CDDLeiden/DrugEx.git@master Defaulting to user installation because normal site-packages is not writeable Collecting git+https://github.com/CDDLeiden/DrugEx.git@master Cloning https://github.com/CDDLeiden/DrugEx.git (to revision master) to /tmp/pip-req-build-y1eadsmo Running command git clone --filter=blob:none --quiet https://github.com/CDDLeiden/DrugEx.git /tmp/pip-req-build-y1eadsmo Resolved https://github.com/CDDLeiden/DrugEx.git to commit 34687de0205f4cbe178786b8378dca8babbd4bfe Installing build dependencies ... done Getting requirements to build wheel ... done Installing backend dependencies ... done Preparing metadata (pyproject.toml) ... done Building wheels for collected packages: UNKNOWN Building wheel for UNKNOWN (pyproject.toml) ... done Created wheel for UNKNOWN: filename=UNKNOWN-3.4.7-py3-none-any.whl size=1777 sha256=376238adc6f3a2d5ea73ce8c075295ed09502ba994ad7deaa243f3a2313ad08d Stored in directory: /tmp/pip-ephem-wheel-cache-zv9_t9my/wheels/fe/3b/66/01b41b1d4e82261cf810dfa79d1417c7d06c7aefc4da466c8c Successfully built UNKNOWN Installing collected packages: UNKNOWN Successfully installed UNKNOWN-3.4.7

pip install "drugex[qsprpred] @ git+https://github.com/CDDLeiden/DrugEx.git@master" Defaulting to user installation because normal site-packages is not writeable Collecting drugex[qsprpred]@ git+https://github.com/CDDLeiden/DrugEx.git@master Cloning https://github.com/CDDLeiden/DrugEx.git (to revision master) to /tmp/pip-install-0w8i1v_a/drugex_cf503470be1d4555adaeae273a57fa30 Running command git clone --filter=blob:none --quiet https://github.com/CDDLeiden/DrugEx.git /tmp/pip-install-0w8i1v_a/drugex_cf503470be1d4555adaeae273a57fa30 Resolved https://github.com/CDDLeiden/DrugEx.git to commit 34687de0205f4cbe178786b8378dca8babbd4bfe Installing build dependencies ... done Getting requirements to build wheel ... done Installing backend dependencies ... done Preparing metadata (pyproject.toml) ... done WARNING: Generating metadata for package drugex produced metadata for project name unknown. Fix your #egg=drugex fragments. Discarding git+https://github.com/CDDLeiden/DrugEx.git@master: Requested unknown from git+https://github.com/CDDLeiden/DrugEx.git@master has inconsistent name: filename has 'drugex', but metadata has 'unknown' ERROR: Could not find a version that satisfies the requirement drugex (unavailable) (from versions: none) ERROR: No matching distribution found for drugex (unavailable)

HellevdM commented 2 months ago

Hi,

Thank you for letting us know about the issue. I tried reproducing the error, but the "pip install git+https://github.com/CDDLeiden/DrugEx.git@master", ran successfully for me. From the error, it seems like it might be a permission issue. Which python version are you using? Perhaps you could also try creating a clean environment (e.g. conda environment) and check if that fixes the issue.

pritam0070 commented 1 month ago

Can you refer a suitable Python version for the installation of DrugEx ?

martin-sicho commented 1 month ago

@pritam0070 I think it should work fine on versions >= 3.10. I am using it on 3.11 without problems, for example. I would also recommend to use a conda environment since the original error by @shuvadipkhanra mentions Defaulting to user installation because normal site-packages is not writeable, which indicates a problem with permissions so using a virtualenv or a conda environment in the user space should solve that as well.