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Attempt to fix arrow dependencies
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mattwelborn committed Oct 10, 2019
1 parent 8f6264c commit 48709a9
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Showing 6 changed files with 19 additions and 6 deletions.
3 changes: 3 additions & 0 deletions devtools/conda-envs/adapters.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -21,11 +21,14 @@ dependencies:
- tqdm
- h5py
- pyarrow
- arrow-cpp
- parquet-cpp

# Test depends
- pytest
- pytest-cov
- codecov
- requests-mock

# Environment specific includes
- rdkit
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3 changes: 3 additions & 0 deletions devtools/conda-envs/base.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -21,11 +21,14 @@ dependencies:
- tqdm
- h5py
- pyarrow
- arrow-cpp
- parquet-cpp

# Test depends
- pytest
- pytest-cov
- codecov
- requests-mock

# QCArchive includes
- qcengine>=0.11.0
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4 changes: 3 additions & 1 deletion devtools/conda-envs/dev_head.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -21,15 +21,17 @@ dependencies:
- tqdm
- h5py
- pyarrow
- arrow-cpp
- parquet-cpp

# Test depends
- pytest
- pytest-cov
- codecov
- requests-mock

# Environment specific includes
- rdkit
- requests-mock

# QCArchive includes

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5 changes: 4 additions & 1 deletion devtools/conda-envs/generate_envs.py
Original file line number Diff line number Diff line change
Expand Up @@ -32,11 +32,14 @@
- tqdm
- h5py
- pyarrow
- arrow-cpp
- parquet-cpp
# Test depends
- pytest
- pytest-cov
- codecov
- requests-mock
"""
qca_ecosystem_template = ["qcengine>=0.11.0", "qcelemental>=0.9.0"]

Expand Down Expand Up @@ -111,7 +114,7 @@ def generate_yaml(filename=None, channels=None, dependencies=None, pip_dependenc
# Tests for the current development heads
"filename":
"dev_head.yaml",
"dependencies": ["rdkit", "requests-mock"],
"dependencies": ["rdkit"],
"qca_ecosystem": [],
"pip_dependencies": [
"git+git://github.com/MolSSI/QCEngine#egg=qcengine",
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3 changes: 3 additions & 0 deletions devtools/conda-envs/openff.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -22,11 +22,14 @@ dependencies:
- tqdm
- h5py
- pyarrow
- arrow-cpp
- parquet-cpp

# Test depends
- pytest
- pytest-cov
- codecov
- requests-mock

# Environment specific includes
- psi4>=1.3
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7 changes: 3 additions & 4 deletions setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -37,6 +37,8 @@
'tqdm',
'h5py',
'pyarrow',
'arrow-cpp',
'parquet-cpp',

# Database
'sqlalchemy>=1.3',
Expand Down Expand Up @@ -65,10 +67,7 @@
'sphinx_rtd_theme',
'numpydoc',
],
'tests': [
'pytest',
'pytest-cov',
],
'tests': ['pytest', 'pytest-cov', 'requests-mock'],
'api_logging': [
'geoip2',
],
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