more bumps (0fc1db7f) · Commits · 钟慕尧 / deepchem

devtools/conda-recipe/deepchem/meta.yaml

+11 −10

Original line number	Diff line number	Diff line
		package:
		name: {{ environ.get('package_name', 'deepchem') }}
		version: "1.3.1"
		version: "2.0.0"

		source:
		git_url: https://github.com/deepchem/deepchem.git
		git_tag: 1.3.0
		git_url: https://github.com/lilleswing/deepchem.git
		git_tag: version-bumps

		build:
		number: 0
		@@ -21,21 +21,22 @@ requirements:
		run:
		- python {{ environ.get('python_version', '3.5') }}
		- pdbfixer ==1.4
		- rdkit ==2017.03.1
		- icu ==56.1
		- mdtraj ==1.8.0
		- mdtraj ==1.9.1
		- joblib ==0.11
		- scikit-learn ==0.18.1
		- keras ==1.2.2
		- networkx ==1.11
		- xgboost ==0.6a2
		- pillow ==4.2.1
		- pandas ==0.19.2
		- {{ environ.get('tensorflow_enabled','tensorflow') }} ==1.3.0
		- pillow ==4.3.0
		- pandas ==0.22.0
		- {{ environ.get('tensorflow_enabled','tensorflow') }} ==1.5.0
		- nose ==1.3.7
		- nose-timer ==0.7.0
		- flaky ==3.3.0
		- zlib ==1.2.11
		- requests ==2.18.4
		- simdna ==0.4.2
		- jupyter=1.0.0
		- rdkit ==2017.09.1


		test:

+10 −10

Original line number	Diff line number	Diff line
		@@ -8,14 +8,14 @@ export python_version=2.7
		conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		export python_version=3.5
		conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		export python_version=3.6
		conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		#export python_version=3.6
		#conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge

		export package_name=deepchem-gpu
		export tensorflow_enabled=tensorflow-gpu
		export python_version=2.7
		conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		export python_version=3.5
		conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		export python_version=3.6
		conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		#export package_name=deepchem-gpu
		#export tensorflow_enabled=tensorflow-gpu
		#export python_version=2.7
		#conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		#export python_version=3.5
		#conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge
		#export python_version=3.6
		#conda build deepchem -c defaults -c rdkit -c omnia -c conda-forge

+0 −1

Original line number	Diff line number	Diff line
		@@ -32,7 +32,6 @@ conda install -y -q -c conda-forge six=1.10.0
		conda install -y -q -c deepchem mdtraj=1.9.1
		conda install -y -q -c conda-forge scikit-learn=0.19.1
		conda install -y -q -c conda-forge setuptools=36.2.2
		conda install -y -q -c conda-forge keras=1.2.2
		conda install -y -q -c conda-forge networkx=1.11
		conda install -y -q -c conda-forge pillow=4.3.0
		conda install -y -q -c conda-forge pandas=0.22.0