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Update to aiida-core v1.0.0b2 #2

Merged
merged 87 commits into from
Apr 23, 2019
Merged

Update to aiida-core v1.0.0b2 #2

merged 87 commits into from
Apr 23, 2019

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chrisjsewell
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@chrisjsewell
update yapf version
9998a9a
@chrisjsewell
updated to handle aiida_core v1.0.0a4 py36
39ff225
@chrisjsewell
Update .travis.yml
9ea8712
@chrisjsewell
try using different python versions
4878432
@chrisjsewell
Update .travis.yml
697c16e
@chrisjsewell
initial changes
f490595 
- fixes basis_set and structsettings
- partial fixes crybasic.calc
@chrisjsewell
fixed test fixtures and removed v0.12 stuff
94ef29e
@chrisjsewell
basic calc now passing tests
b11da8e
@chrisjsewell
passing all except immigration and symmetry
a894a82
@chrisjsewell
Merge branch 'master' into aiida_workshop
94a70cc
@chrisjsewell
fixed typos
4e3af29
@chrisjsewell
Update mock_runcry17.py
acba42e
@chrisjsewell
Update mock_runcry17.py
670ffc0
@chrisjsewell
all tests and flake8 linting passing
b4ab6e8
@chrisjsewell
update travis testing
c6ee6b7
@chrisjsewell
Update .travis.yml
bb34e9b
@chrisjsewell
Update .travis.yml
28788bb
@chrisjsewell
update testing
e5ab732
@chrisjsewell
Update setup.json
c675b63
@chrisjsewell
Update .travis.yml
895725e
@chrisjsewell
Update .travis.yml
1ee0c80
@chrisjsewell
Update setup.json
375341b
@chrisjsewell
Update .travis.yml
b492078
@chrisjsewell
style fixes
7726516
@chrisjsewell
Update .travis.yml
55ec46f
@chrisjsewell
Update .travis.yml
06378b0
@chrisjsewell
Update .travis.yml
dec07a8
@chrisjsewell
Update .travis.yml
4724461
@chrisjsewell
redone symmetry
e229fe6 
- split settingsdata into symmetry and kinds
- moved tests into related folders (rather than centrally)
- added tests for .gui creation
@chrisjsewell
fixes for aiida develop commits
08c653f
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coveralls commented Apr 23, 2019 •
edited
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Pull Request Test Coverage Report for Build 372

  • 1406 of 1865 (75.39%) changed or added relevant lines in 35 files are covered.
  • 3 unchanged lines in 2 files lost coverage.
  • Overall coverage decreased (-1.6%) to 78.967%
Changes Missing Coverage Covered Lines Changed/Added Lines %
aiida_crystal17/validation/init.py 21 22 95.45%
aiida_crystal17/tests/mock_runcry17.py 4 6 66.67%
aiida_crystal17/calculations/cry_main.py 61 64 95.31%
aiida_crystal17/cmndline/symmetry.py 14 17 82.35%
aiida_crystal17/parsers/inputd12_write.py 27 31 87.1%
aiida_crystal17/symmetry/test_symmetry.py 51 55 92.73%
aiida_crystal17/data/basis_set.py 125 133 93.98%
aiida_crystal17/data/input_params.py 35 43 81.4%
aiida_crystal17/parsers/cry_main.py 29 38 76.32%
aiida_crystal17/immigration/cry_main.py 42 52 80.77%
Files with Coverage Reduction New Missed Lines %
aiida_crystal17/tests/mock_runcry17.py 1 78.79%
aiida_crystal17/data/basis_set.py 2 84.04%
Totals Coverage Status
Change from base Build 362: -1.6%
Covered Lines: 2095
Relevant Lines: 2653
💛 - Coveralls

@chrisjsewell chrisjsewell merged commit 392eb78 into develop Apr 23, 2019
chrisjsewell added a commit that referenced this pull request Jun 13, 2019
@chrisjsewell
Update to aiida-core v1.0.0b2 (#2)
2066a32 
essentially rewrote the entire package
@chrisjsewell chrisjsewell deleted the aiida_workshop branch July 18, 2019 15:34
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