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NumPy and conda upgrades
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= !!! UNDER CONSTRUCTION !!! = | = Anaconda based Build, All Platforms = '''Note:''' Along with upgrading '''NumPy''' to 1.13, we are also upgrading '''conda''' to 4.4 and '''conda-build''' to 3. Please, pay attention to PATH related instructions as there is no need to manipulate PATH anymore. |
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= All platforms = | Note that even with a source build it may be difficult to get this working on systems with very old operating system installs. We normally try to support OS versions 6-7 years old. Please report any problems. |
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The following instructions will work with cmake changes introduced in https://github.com/cryoem/eman2/pull/65. | == GPU Support == For features which support the GPU, please complete the source install instructions below, then follow the [[EMAN2/Install/BinaryInstallAnaconda#GPU|GPU instructions]] from the binary installation page. |
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There are two approaches you can use for the installation. One uses 'Miniconda' and the other uses full 'Anaconda'. Miniconda is a much smaller (~30 MB) install, provides everything EMAN2 needs, and can be expanded with more packages as you like. Anaconda is a much more complete environment (~300 MB), including useful tools such as the Jupyter notebook, but will require the use of a conda environment to make EMAN2 work properly at present. | |
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1. Download and install [[https://www.continuum.io/downloads | Anaconda2]] or [[https://conda.io/miniconda.html | Miniconda2]]. | === Linux Clusters === The approaches below will install EMAN2 with a precompiled version of OpenMPI, which may or may not work with the batch queuing system on your cluster. If it does not work, the symptom will be that MPI parallel jobs will use only a single node, no matter how many you have allocated in your job. If this happens please see the linux cluster installations on the [[EMAN2/Install/BinaryInstallAnaconda|binary install page]]. Those instructions should also work with either of the source-based installations below. https://github.com/cryoem/eman2/pull/167 |
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1. Checkout EMAN2 code from [[https://github.com/cryoem/eman2 | GitHub:cryoem/eman2]]. {{{ | === Miniconda2 === |
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cd <some-path-to-keep-eman2-source> git clone https://github.com/cryoem/eman2.git |
1. Download and install '''Miniconda2-4.4.10''' for [[https://repo.continuum.io/miniconda/Miniconda2-4.4.10-Linux-x86_64.sh|Linux]] or [[https://repo.continuum.io/miniconda/Miniconda2-4.4.10-MacOSX-x86_64.sh|Mac OSX]]. 1. '''Remove''' any miniconda2/bin entries from your PATH and run {{{ . <miniconda2-path>/etc/profile.d/conda.sh }}} or, if you have a line reading {{{ export PATH=<miniconda2-path>/bin:$PATH }}} in your .bashrc or .profile, replace it with {{{ . <miniconda2-path>/etc/profile.d/conda.sh |
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1. Optionally, activate an existing conda environment, e.g. `source activate eman-env`. Skip this step if you don't understand this statement. | 1. Make sure that you do not have LD_LIBRARY_PATH or PYTHONPATH set in your shell. If you need these settings for other software, you can still try to proceed, and hope they do not conflict with Miniconda. Alternatively, you may set up a shell script or alias to make these environment changes on demand when you want to use EMAN2/miniconda. |
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1. Install dependencies {{{ conda install eman-deps -c cryoem -c defaults -c conda-forge }}} Listing the channels explicitly can be avoided by specifying them in <HOME>/.condarc, see conda documentation for more details, https://conda.io/docs/using/index.html. |
1. '''Install dependencies''' {{{ conda install cmake=3.9 -c defaults conda install eman-deps=8 -c cryoem -c defaults -c conda-forge }}} |
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1. Out-of-source builds are recommended, so work in a directory outside of eman2 source (this is generally true, not EMAN2-specific). Note '''cmake''', not '''--( ccmake )--'''. CMake will automatically find the dependencies. If you want to change any of the CMake values, then use '''cmake-gui''' or '''ccmake'''. {{{ | 1. '''Checkout EMAN2 code''' from [[https://github.com/cryoem/eman2|GitHub:cryoem/eman2]]. {{{ cd <path-where-you-want-eman2-source> # eg - $HOME/src git clone https://github.com/cryoem/eman2.git # this will create an eman2 folder containing the current source code from the master branch }}} |
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1. '''Create a build directory''' (out-of-source builds are recommended). {{{ mkdir <build-directory> # eg- $HOME/src/eman2-build |
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export MACOSX_DEPLOYMENT_TARGET=10.7 # only for MacOSX (Yosemite, El Capitan) cmake <some-path-to-keep-eman2-source> -DENABLE_CONDA=ON make -j # 'make' should pick the number of available processors, make -j4 # but you may specify the number if you like |
cmake <path-to-eman2-source> # - eg $HOME/src/eman2. On linux, also add -DENABLE_OPTIMIZE_MACHINE=ON }}} * If conda is not found in PATH, set CONDA_PREFIX to your conda environment directory. It could be the main installation or an environment. This step most likely will be needed only if you use '''cmake-gui'''. * If you set CONDA_PREFIX to an environment, make sure to delete any cmake variables that cmake already found, variables like *_LIBRARY or similar, *_INCLUDE_PATH or similar. * Rerun cmake. 1. '''Build EMAN2''' {{{ make -j |
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1. You may also wish to run {{{ make test # if everything passes you are fine, if there are failures, you are welcome to ask make test-verbose # verbose test output to help to identify specific failures }}} |
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== Windows == | === Anaconda2 === 1. Download and install '''Anaconda2-5.1.0''' for [[https://repo.continuum.io/archive/Anaconda2-5.1.0-Linux-x86_64.sh|Linux]] or [[https://repo.continuum.io/archive/Anaconda2-5.1.0-MacOSX-x86_64.sh|Mac OSX]]. 1. '''Remove''' any anaconda2/bin entries from your PATH and run {{{ . <anaconda2-path>/etc/profile.d/conda.sh }}} or, if you have a line reading {{{ export PATH=<anaconda2-path>/bin:$PATH }}} in your .bashrc or .profile, replace it with {{{ . <anaconda2-path>/etc/profile.d/conda.sh }}} 1. Make sure that you do not have LD_LIBRARY_PATH or PYTHONPATH set in your shell. If you need these settings for other software, you can still try to proceed, and hope they do not conflict with Anaconda. Alternatively, you may set up a shell script or alias to make these environment changes on demand when you want to use EMAN2/anaconda. 1. '''Install dependencies''' {{{ conda create -n eman-env cmake=3.9 -c defaults conda install -n eman-env eman-deps=8 -c cryoem -c defaults -c conda-forge conda activate eman-env }}} 1. Note that you will need to run {{{ conda activate eman-env }}} once in each shell before being able to run EMAN2 commands. 1. '''Checkout EMAN2 code''' from [[https://github.com/cryoem/eman2|GitHub:cryoem/eman2]]. {{{ cd <path-where-you-want-eman2-source> # eg - $HOME/src git clone https://github.com/cryoem/eman2.git # this will create an eman2 folder containing the current source code from the master branch }}} 1. '''Create a build directory''' (out-of-source builds are recommended). {{{ mkdir <build-directory> # eg- $HOME/src/eman2-build cd <build-directory> cmake <path-to-eman2-source> # - eg $HOME/src/eman2. On linux, also add -DENABLE_OPTIMIZE_MACHINE=ON }}} * If conda is not found in PATH, set CONDA_PREFIX to your conda environment directory. It could be the main installation or an environment. This step most likely will be needed only if you use '''cmake-gui'''. * If you set CONDA_PREFIX to an environment, make sure to delete any cmake variables that cmake already found, variables like *_LIBRARY or similar, *_INCLUDE_PATH or similar. * Rerun cmake. 1. '''Build EMAN2''' {{{ make -j make install }}} 1. You may also wish to run {{{ make test # if everything passes you are fine, if there are failures, you are welcome to ask make test-verbose # verbose test output to help to identify specific failures }}} |
Anaconda based Build, All Platforms
Note: Along with upgrading NumPy to 1.13, we are also upgrading conda to 4.4 and conda-build to 3. Please, pay attention to PATH related instructions as there is no need to manipulate PATH anymore.
Note that even with a source build it may be difficult to get this working on systems with very old operating system installs. We normally try to support OS versions 6-7 years old. Please report any problems.
GPU Support
For features which support the GPU, please complete the source install instructions below, then follow the GPU instructions from the binary installation page.
Mac OS X, Linux
There are two approaches you can use for the installation. One uses 'Miniconda' and the other uses full 'Anaconda'. Miniconda is a much smaller (~30 MB) install, provides everything EMAN2 needs, and can be expanded with more packages as you like. Anaconda is a much more complete environment (~300 MB), including useful tools such as the Jupyter notebook, but will require the use of a conda environment to make EMAN2 work properly at present.
Linux Clusters
The approaches below will install EMAN2 with a precompiled version of OpenMPI, which may or may not work with the batch queuing system on your cluster. If it does not work, the symptom will be that MPI parallel jobs will use only a single node, no matter how many you have allocated in your job. If this happens please see the linux cluster installations on the binary install page. Those instructions should also work with either of the source-based installations below. https://github.com/cryoem/eman2/pull/167
Miniconda2
Download and install Miniconda2-4.4.10 for Linux or Mac OSX.
Remove any miniconda2/bin entries from your PATH and run
. <miniconda2-path>/etc/profile.d/conda.sh
or, if you have a line readingexport PATH=<miniconda2-path>/bin:$PATH
in your .bashrc or .profile, replace it with
. <miniconda2-path>/etc/profile.d/conda.sh
- Make sure that you do not have LD_LIBRARY_PATH or PYTHONPATH set in your shell. If you need these settings for other software, you can still try to proceed, and hope they do not conflict with Miniconda. Alternatively, you may set up a shell script or alias to make these environment changes on demand when you want to use EMAN2/miniconda.
Install dependencies
conda install cmake=3.9 -c defaults conda install eman-deps=8 -c cryoem -c defaults -c conda-forge
Checkout EMAN2 code from GitHub:cryoem/eman2.
cd <path-where-you-want-eman2-source> # eg - $HOME/src git clone https://github.com/cryoem/eman2.git # this will create an eman2 folder containing the current source code from the master branch
Create a build directory (out-of-source builds are recommended).
mkdir <build-directory> # eg- $HOME/src/eman2-build cd <build-directory> cmake <path-to-eman2-source> # - eg $HOME/src/eman2. On linux, also add -DENABLE_OPTIMIZE_MACHINE=ON
If conda is not found in PATH, set CONDA_PREFIX to your conda environment directory. It could be the main installation or an environment. This step most likely will be needed only if you use cmake-gui.
- If you set CONDA_PREFIX to an environment, make sure to delete any cmake variables that cmake already found, variables like *_LIBRARY or similar, *_INCLUDE_PATH or similar.
- Rerun cmake.
Build EMAN2
make -j make install
- You may also wish to run
make test # if everything passes you are fine, if there are failures, you are welcome to ask make test-verbose # verbose test output to help to identify specific failures
Anaconda2
Remove any anaconda2/bin entries from your PATH and run
. <anaconda2-path>/etc/profile.d/conda.sh
or, if you have a line readingexport PATH=<anaconda2-path>/bin:$PATH
in your .bashrc or .profile, replace it with
. <anaconda2-path>/etc/profile.d/conda.sh
- Make sure that you do not have LD_LIBRARY_PATH or PYTHONPATH set in your shell. If you need these settings for other software, you can still try to proceed, and hope they do not conflict with Anaconda. Alternatively, you may set up a shell script or alias to make these environment changes on demand when you want to use EMAN2/anaconda.
Install dependencies
conda create -n eman-env cmake=3.9 -c defaults conda install -n eman-env eman-deps=8 -c cryoem -c defaults -c conda-forge conda activate eman-env
Note that you will need to run conda activate eman-env once in each shell before being able to run EMAN2 commands.
Checkout EMAN2 code from GitHub:cryoem/eman2.
cd <path-where-you-want-eman2-source> # eg - $HOME/src git clone https://github.com/cryoem/eman2.git # this will create an eman2 folder containing the current source code from the master branch
Create a build directory (out-of-source builds are recommended).
mkdir <build-directory> # eg- $HOME/src/eman2-build cd <build-directory> cmake <path-to-eman2-source> # - eg $HOME/src/eman2. On linux, also add -DENABLE_OPTIMIZE_MACHINE=ON
If conda is not found in PATH, set CONDA_PREFIX to your conda environment directory. It could be the main installation or an environment. This step most likely will be needed only if you use cmake-gui.
- If you set CONDA_PREFIX to an environment, make sure to delete any cmake variables that cmake already found, variables like *_LIBRARY or similar, *_INCLUDE_PATH or similar.
- Rerun cmake.
Build EMAN2
make -j make install
- You may also wish to run
make test # if everything passes you are fine, if there are failures, you are welcome to ask make test-verbose # verbose test output to help to identify specific failures