diff --git a/calphy/postprocessing.py b/calphy/postprocessing.py index 29e24a3..5781839 100644 --- a/calphy/postprocessing.py +++ b/calphy/postprocessing.py @@ -1,6 +1,5 @@ import os import numpy as np -import pandas as pd def read_report(folder): """ @@ -39,6 +38,11 @@ def gather_results(mainfolder): df: pandas DataFrame DataFrame with results """ + try: + import pandas as pd + except ImportError: + raise ImportError('Please install pandas to use this function') + datadict = {} datadict['mode'] = [] datadict['status'] = [] diff --git a/environment-nolammps.yml b/environment-nolammps.yml index 280f290..cc6d8a4 100644 --- a/environment-nolammps.yml +++ b/environment-nolammps.yml @@ -17,4 +17,3 @@ dependencies: - uncertainties - pydantic >=2.3.0 - pyscal3 - - pandas diff --git a/environment.yml b/environment.yml index c2ceed7..3e164e3 100644 --- a/environment.yml +++ b/environment.yml @@ -16,4 +16,3 @@ dependencies: - uncertainties - pydantic >=2.3.0 - pyscal3 - - pandas diff --git a/setup.py b/setup.py index 2dde7dc..25c8b93 100644 --- a/setup.py +++ b/setup.py @@ -43,7 +43,7 @@ description="free energy calculation for python", install_requires=['matplotlib', 'pytest', 'pyyaml', 'mendeleev', - 'tqdm', 'scipy', 'pydantic', 'pyscal3', 'pandas'], + 'tqdm', 'scipy', 'pydantic', 'pyscal3'], license="GNU General Public License v3", long_description=readme, long_description_content_type='text/markdown',