Comments (3)
Going to close this for now. Feel free to reopen @ice1x if there is still an issue.
from iodata.
python -m pip install git+https://github.com/theochem/iodata.git
from main repo readme doesn't work as well for me with:
File "/Users/123/miniconda3/envs/iodata/lib/python3.11/site-packages/setuptools/wheel.py", line 173, in _convert_metadata
os.rename(dist_info, egg_info)
OSError: [Errno 66] Directory not empty: '/private/var/folders/qx/75jnscxj61n3kbhgq45rmtbw0000gq/T/pip-req-build-y1kfn_y1/.eggs/numpy-1.26.2-py3.11-macosx-11.1-arm64.egg/numpy-1.26.2.dist-info' -> '/private/var/folders/qx/75jnscxj61n3kbhgq45rmtbw0000gq/T/pip-req-build-y1kfn_y1/.eggs/numpy-1.26.2-py3.11-macosx-11.1-arm64.egg/EGG-INFO'
[end of output]
note: This error originates from a subprocess, and is likely not a problem with pip.
ERROR: Failed cleaning build dir for qc-iodata
Failed to build qc-iodata
ERROR: Could not build wheels for qc-iodata, which is required to install pyproject.toml-based projects
from iodata.
I have tested with an M1 machine and the conda install
method does not work as I guess there is no complied version for M1. But it works with python -m pip install git+https://github.com/theochem/iodata.git
in a virtual environment with Python 3.11. Can you delete this virtual environment and create a new one, then try to install it? Please feel free to tag me if it doesn't work. @ice1x
from iodata.
Related Issues (20)
- PDB load_one issue with atom type CL HOT 5
- Compute electronic energy/gradient(force) in IOData
- Input writers for other quantum chemistry software HOT 2
- Install issue on Windows HOT 2
- Can I trust IOData for handling molden files generated from PySCF HOT 2
- Rename some fields read from PDB, to be more in line with PDB conventions HOT 3
- AttributeError: module 'numpy' has no attribute 'int'
- Scipy Factorial2 change HOT 4
- Issues related to factorial2 function HOT 2
- Computing Center of Mass HOT 3
- Support GPAW HOT 2
- Python 3.9 Numpy 1.20 Depreciation: np.int, np.float HOT 7
- Fix Factorial2 HOT 4
- Switch to more modern project structure with GitHub Actions HOT 5
- NumPy 2 compatibility
- fchk to FCIDUMP (with gbasis) HOT 5
- JSON QCSchema update HOT 1
- Runtime Type check bug in utils.py HOT 6
- Rename functions in `iodata.formats` submodules (?)
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from iodata.