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fix a tiny bug
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qzhu2017 committed Sep 6, 2024
1 parent 997341b commit d83e770
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Showing 3 changed files with 3 additions and 3 deletions.
2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -59,7 +59,7 @@ pip install --upgrade git+https://github.com/MaterSim/PyXtal.git@master
If you want to add the Julia package install (required by the use of `pyxtal.lego` module), please use

```sh
INSTALL_JULIA=1 pip install pyxtal
export INSTALL_JULIA=1 && pip install pyxtal
```

To check if the installation is successful, run the following script,
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2 changes: 1 addition & 1 deletion pyxtal/lego/builder.py
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Expand Up @@ -762,7 +762,7 @@ def optimize_xtals(self, xtals, ncpu=1, opt_type='local',
"""
args = (opt_type, T, niter, early_quit, add_db, symmetrize, minimizers)
if ncpu == 1:
valdi_xtals = self.optimize_xtals_serial(xtals, args)
valid_xtals = self.optimize_xtals_serial(xtals, args)
else:
valid_xtals = self.optimize_xtals_mproc(xtals, ncpu, args)
return valid_xtals
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -5,7 +5,7 @@
class CustomInstallCommand(install):
def run(self):
# Check if the custom environment variable is set
if os.getenv("INSTALL_JULIA", "0") == "1":
if os.getenv("INSTALL_JULIA") == "1":
print("CustomInstallCommand: Installing Julia packages...")
try:
from juliacall import Main as jl
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