remove useless files and foldes (#39)

* 🌈 style: delete useless files 1. remove the workflow for gitee 2. remove the ci.yml and dockerfile for gitlab * test: update test_readdata.py remove the save new xdat.traj in the read2bin
deepmodeling · Oct 19, 2023 · 5baf854 · 5baf854
1 parent 866778d
commit 5baf854
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Showing 7 changed files with 5 additions and 222 deletions.
diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
diff --git a/.workflow/branch-pipeline.yml b/.workflow/branch-pipeline.yml
diff --git a/.workflow/master-pipeline.yml b/.workflow/master-pipeline.yml
diff --git a/.workflow/pipeline-20221109.yml b/.workflow/pipeline-20221109.yml
diff --git a/.workflow/pr-pipeline.yml b/.workflow/pr-pipeline.yml
diff --git a/Dockerfile.gitlab b/Dockerfile.gitlab
diff --git a/dptb/tests/test_readdata.py b/dptb/tests/test_readdata.py
@@ -3,6 +3,7 @@
 import pytest
 from ase.io import read
 from ase.io.trajectory import Trajectory
+import os
 
 @pytest.fixture(scope='session', autouse=True)
 def root_directory(request):
@@ -62,10 +63,11 @@ def read2bin(root_directory):
     kpoints = np.loadtxt(in_dir + '/' + kpoints_file)
 
     trajstrs = read(in_dir + '/' + struct_file, format='vasp',index=':')
-    traj = Trajectory(in_dir + '/' + 'xdat.traj',mode='w')
+    traj = Trajectory(in_dir + '/' + 'xdat2.traj',mode='w')
     for i  in range(1):
         traj.write(atoms=trajstrs[i])  
     traj.close()
 
-    np.save(in_dir + '/' + 'eigs.npy',eigvaules)
-    np.save(in_dir + '/' + 'kpoints.npy',kpoints)
+    #np.save(in_dir + '/' + 'eigs.npy',eigvaules)
+    #np.save(in_dir + '/' + 'kpoints.npy',kpoints)
+    #os.remove(in_dir + '/' + 'xdat.traj')