bump dpdata version to 0.2.4 (deepmodeling#595)

* bump dpdata version to 0.2.4 * fix AssertionErrors in TestPostGaussian (deepmodeling#5) * fix bug issue:597 (deepmodeling#598) (deepmodeling#6) * fix bug issue:597 * fix energies mismatch bug for dpdata cp2k unittest * fix issue 597 Co-authored-by: Yongbin Zhuang <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Jinzhe Zeng <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Yongbin Zhuang <[email protected]>
Cloudac7 · Dec 1, 2021 · dc204a8 · dc204a8
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commit dc204a8
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diff --git a/setup.py b/setup.py
@@ -17,7 +17,7 @@
 with open(path.join('dpgen', '_date.py'), 'w') as fp :
     fp.write('date = \'%s\'' % today)
 
-install_requires=['numpy>=1.14.3', 'dpdata>=0.1.14', 'pymatgen>=2019.1.13', 'ase', 'monty>2.0.0', 'paramiko', 'custodian','GromacsWrapper>=0.8.0', 'dpdispatcher>=0.3.11']
+install_requires=['numpy>=1.14.3', 'dpdata>=0.2.4', 'pymatgen>=2019.1.13', 'ase', 'monty>2.0.0', 'paramiko', 'custodian','GromacsWrapper>=0.8.0', 'dpdispatcher>=0.3.11']
 
 setuptools.setup(
     name=NAME,

diff --git a/tests/generator/out_data_post_fp_gaussian/orig/energy.raw b/tests/generator/out_data_post_fp_gaussian/orig/energy.raw
@@ -1 +1 @@
--1102.7145808882785
+-1102.7145898692427
diff --git a/tests/generator/out_data_post_fp_gaussian/orig/nopbc b/tests/generator/out_data_post_fp_gaussian/orig/nopbc