File tree Expand file tree Collapse file tree 3 files changed +3
-5
lines changed Expand file tree Collapse file tree 3 files changed +3
-5
lines changed Original file line number Diff line number Diff line change 15
15
export PATH=$HOME/miniconda3/bin:$PATH
16
16
conda create --name test_env python=3.8
17
17
source activate test_env
18
- conda install -c conda-forge openbabel gcc_linux-64
18
+ conda install -c conda-forge openbabel pymatgen
19
19
pip install -r requirements-ci.txt
20
20
pip install .
21
21
no_output_timeout : 1h
Original file line number Diff line number Diff line change 1
- git+https://github.com/samblau/pymatgen@qchem#egg=pymatgen
2
- git+https://github.com/samblau/custodian@qchem#egg=custodian
3
1
boto3==1.17.97
4
2
coverage==5.5
5
3
moto==2.0.10
Original file line number Diff line number Diff line change
1
+ custodian == 2022.5.26
1
2
FireWorks == 1.9.7
2
3
maggma == 0.44.0
3
4
monty == 2021.6.10
@@ -7,10 +8,9 @@ pandas==1.2.5
7
8
paramiko == 2.10.1
8
9
pydash == 5.0.0
9
10
pymatgen-analysis-diffusion
11
+ pymatgen
10
12
pymongo
11
13
pyyaml == 5.4.1
12
14
ruamel.yaml == 0.17.9
13
15
scipy == 1.7.2
14
16
tqdm == 4.61.1
15
- git+https://github.com/samblau/pymatgen@qchem#egg=pymatgen
16
- git+https://github.com/samblau/custodian@qchem#egg=custodian
You can’t perform that action at this time.
0 commit comments