Giters

qzhu2017 / PyXtal

A code to generate atomic structure with symmetry

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

installation issue:

mukesh4iitb opened this issue · comments

commented

Dear community,

I am using the following commands to installs:
1- using pip3 install pyxtal is showing error because it is taking pyshtool 4.11.* version, which itself has installation issue.

So I moved to installation with setup.py mehod.

2- I have used the following commands:

git clone https://github.com/qzhu2017/PyXtal.git
cd pyxtal
python3 setup.py install --prefix='PyXtal_new'

And I think every requirements has been satisfied. But I am getting the following error. It might be related to some missing options. Could you please where I am making some mistake and how to resolve it?

Last few lines where error are showing are pasted here:

Writing /tmp/easy_install-3o8lxbdu/pymatgen-2023.12.18/setup.cfg
Running pymatgen-2023.12.18/setup.py -q bdist_egg --dist-dir /tmp/easy_install-3o8lxbdu/pymatgen-2023.12.18/egg-dist-tmp-607z4llc
package init file 'cmd_line/init.py' not found (or not a regular file)
package init file 'pymatgen/analysis/init.py' not found (or not a regular file)
package init file 'pymatgen/ext/init.py' not found (or not a regular file)
package init file 'pymatgen/io/init.py' not found (or not a regular file)
package init file 'pymatgen/analysis/structure_prediction/data/init.py' not found (or not a regular file)
package init file 'pymatgen/entries/data/init.py' not found (or not a regular file)
package init file 'pymatgen/io/lobster/lobster_basis/init.py' not found (or not a regular file)
package init file 'pymatgen/io/lammps/templates/init.py' not found (or not a regular file)
package init file 'pymatgen/util/structures/init.py' not found (or not a regular file)
listing git files failed - pretending there aren't any
/home/mukesh/.local/lib/python3.8/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools.
warnings.warn(
x86_64-linux-gnu-gcc: error: pymatgen/optimization/linear_assignment.c: No such file or directory
x86_64-linux-gnu-gcc: fatal error: no input files
compilation terminated.
error: Setup script exited with error: command '/usr/bin/x86_64-linux-gnu-gcc' failed with exit code 1

thanks

commented

@mukesh4iitb
Can you try
pip install . --prefix='PyXtal_new'

commented