Comments (5)
I ran into this issue myself and got around it by installing numpy, h5py, numba, pyfftw, cmake through conda. To install boltztrap2 I had to run:
brew install gcc-11
CC=gcc-11 CXX=g++-11 pip install boltztrap2
And then finally amset was installed using pip install amset
.
from amset.
Thanks, that worked!
I had to do brew install gcc@11
.
from amset.
Cheers. I'll add it to the documentation page.
from amset.
I plan to install bolztrap2 on m1 mac. but i got error. I have followed your tutorial. anyone know why?
from amset.
I have installed AMSET on Apple M2 successfully but when running the examples, I am getting the FileNotFound Error [Errno 2]. Keeping the POTCAR file is not solving the problem. Any suggestion on how to resolve this?
`/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-packages/numba/core/decorators.py:262: NumbaDeprecationWarning: numba.generated_jit is deprecated. Please see the documentation at: https://numba.readthedocs.io/en/stable/reference/deprecation.html#deprecation-of-generated-jit for more information and advice on a suitable replacement.
warnings.warn(msg, NumbaDeprecationWarning)
Loading settings from: settings.yaml
ERROR: amset exiting on 02 Feb 2024 at 17:03
Traceback (most recent call last):
File "/Users/koushik/anaconda3/envs/my_amset/bin/amset", line 8,
in
sys.exit(cli())
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/click/core.py", line 1157, in call
return self.main(*args, **kwargs)
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/click/core.py", line 1078, in main
rv = self.invoke(ctx)
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/click/core.py", line 1688, in invoke
return _process_result(sub_ctx.command.invoke(sub_ctx))
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/click/core.py", line 1434, in invoke
return ctx.invoke(self.callback, **ctx.params)
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/click/core.py", line 783, in invoke
return __callback(*args, **kwargs)
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/amset/tools/run.py", line 132, in run
runner = Runner.from_directory(
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/amset/core/run.py", line 388, in from_directory
return Runner.from_vasprun(input_file, settings)
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/amset/core/run.py", line 341, in from_vasprun
vasprun = Vasprun(vasprun, parse_projected_eigen=True)
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/pymatgen/io/vasp/outputs.py", line 296, in init
self.update_potcar_spec(parse_potcar_file)
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/pymatgen/io/vasp/outputs.py", line 1054, in
update_potcar_spec
if potcar := self.get_potcars(path):
File "/Users/koushik/anaconda3/envs/my_amset/lib/python3.10/site-
packages/pymatgen/io/vasp/outputs.py", line 1010, in get_potcars
f"{search_path}/{fn}" for fn in os.listdir(search_path) if
fn.startswith("POTCAR") and ".spec" not in fn
FileNotFoundError: [Errno 2] No such file or directory: ''`
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Related Issues (20)
- Error when running Si/GaAs examples. HOT 4
- About anisotropic transport. HOT 1
- Question about elastic_constant. HOT 5
- Queries with AMSET inputs... HOT 2
- Error for spin-resolved HSE06 calculation with SOC HOT 2
- Accuracy depending on "performance settings" HOT 3
- KeyError: <Spin.up: 1> when calculating SnS HOT 4
- Request to clarify AMSET inputs HOT 10
- Dependabot couldn't authenticate with https://pypi.python.org/simple/
- Error in defromation potential extraction in 0.3.1 version HOT 3
- Output data files when plotting HOT 1
- Atomate AMSET workflow? HOT 2
- Docs Clarification on OMP_NUM_THREADS/nworkers? HOT 1
- Conda dependency issue HOT 2
- There is no available quadpy HOT 1
- numpy dtype problem HOT 1
- Is amset feasible for 2D materials?
- ValueError(f"Expected {n_expected} points but found {n_mapped}” in amset deform read module
- ValueError: Could not find fermi within low concentration HOT 2
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