Change pdbfixer to conda install. (95ec603c) · Commits · 钟慕尧 / deepchem

README.md

+6 −11

Original line number	Diff line number	Diff line
		@@ -71,17 +71,12 @@ Installation from source is the only currently supported format. ```deepchem```
		conda install -c omnia mdtraj
		```

		7. `openmm`
		7. `pdbfixer`
		```bash
		conda install -c omnia openmm
		conda install -c omnia pdbfixer=1.4
		```

		8. `pdbfixer`
		```bash
		pip install git+https://github.com/pandegroup/pdbfixer.git
		```

		9. `tensorflow`: Installing `tensorflow` on older versions of Linux (which
		8. `tensorflow`: Installing `tensorflow` on older versions of Linux (which
		have glibc < 2.17) can be very challenging. For these older Linux versions,
		contact your local sysadmin to work out a custom installation. If your
		version of Linux is recent, then the following command will work:
		@@ -89,7 +84,7 @@ Installation from source is the only currently supported format. ```deepchem```
		pip install tensorflow-gpu==0.12.1
		```

		10. `deepchem`: Clone the `deepchem` github repo:
		9. `deepchem`: Clone the `deepchem` github repo:
		```bash
		git clone https://github.com/deepchem/deepchem.git
		```
		@@ -98,7 +93,7 @@ Installation from source is the only currently supported format. ```deepchem```
		python setup.py install
		```

		11. To run test suite, install `nosetests`:
		10. To run test suite, install `nosetests`:
		```bash
		pip install nose
		```
		@@ -109,7 +104,7 @@ Installation from source is the only currently supported format. ```deepchem```
		You might need to uninstall a system install of `nosetests` if
		there is a conflict.

		12. If installation has been successful, all tests in test suite should pass:
		11. If installation has been successful, all tests in test suite should pass:
		```bash
		nosetests -v deepchem --nologcapture
		```

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