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Revision 3 as of 2019-10-04 03:32:39
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Editor: TunayDurmaz
Comment: remove anaconda
Revision 20 as of 2019-10-22 01:45:26
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Editor: TunayDurmaz
Comment:
Deletions are marked like this. Additions are marked like this.
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EMAN source lives on !GitHub, downloading the source is part of the instructions below. Since EMAN uses Anaconda for its base environment, please follow the instructions below for a painless compile from source. If you go 'off script' you're on your own! EMAN source lives on [[https://github.com/cryoem/eman2|GitHub]], downloading the source is part of the instructions below. Since EMAN uses Anaconda for its base environment, please follow the instructions below for a painless compile from source. If you go 'off script' you're on your own!
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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. For features which support the GPU, please complete the source install instructions below, then follow the [[EMAN2/Install/BinaryInstallAnaconda/2.31#Using_the_GPU|GPU instructions]] from the binary installation page.
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There are two installer options you can choose from for the installation. One is 'Miniconda' and the other is full 'Anaconda'. Miniconda is a much smaller (~30 MB) installer, provides a minimal conda environment. Anaconda is a much more complete environment (~300 MB), including useful tools such as the Jupyter notebook. The installation and environment setup instructions for Miniconda should be applicable for Anaconda command line usage, but we do not provide Anaconda support for EMAN development. If you are interested in using Anaconda, please, go to [[https://www.anaconda.com/distribution/|Anaconda]]. There are two installer options you can choose from for the installation. One is 'Miniconda' and the other is full 'Anaconda'. Miniconda is a much smaller (~30 MB) installer, provides a minimal conda environment. Anaconda is a much more complete environment (~300 MB), including useful tools such as the Jupyter notebook. The installation and environment setup instructions for Miniconda and Anaconda are similar, the only difference is the installer used.
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== Initial Setup ==
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=== Linux Clusters ===

The approach below will install EMAN 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.



== Setup Development Environment with Conda ==

{{{#!wiki caution
'''TODO'''
 1. For difference between login- and non-login shells on Mac OSX, https://www.anintegratedworld.com/basics-of-osx-bashrc-v-profile-v-bash_profile/

 1. Review how to install new vs existing installations. How do you use conda-init, if conda is not on PATH?
  a. The installer seems to take care of it, if it is not used in batch mode.
  a. How do we handle it manually, if the installation was done in batch mode.

 1. Activation, conda init ... https://docs.conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html#activating-an-environment
 1. If you have an existing '''Miniconda2/Anaconda2''' installation which is used by adding it to PATH in shell initialization files, remove that export command that looks like
 {{{#!highlight bash
export PATH=<Miniconda-installation-path>/bin:$PATH
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 1. If you have an existing '''Miniconda2/Anaconda2''' installation,
  a. '''Remove miniconda/anaconda entries from PATH'''.
  a. If you want to make use of your cached packages, move your '''pkgs/''' and '''envs/''' folders out of your current installation to another location.
  {{{#!highlight bash
  mkdir -p <path-to-conda-cache-directory>
# mkdir -p ~/conda-global-cache
 1. Download and install '''Miniconda''' for [[https://repo.continuum.io/miniconda/Miniconda3-4.6.14-Linux-x86_64.sh|Linux]] or [[https://repo.continuum.io/miniconda/Miniconda3-4.6.14-MacOSX-x86_64.sh|MacOSX]].
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mv <path-to-current-miniconda2-installation>/pkgs <path-to-conda-cache-directory>
mv <path-to-current-miniconda2-installation>/envs <path-to-conda-cache-directory>
}}}
{{{#!wiki caution
'''???'''}}}

 1. '''???''' Make sure that you have added '''miniconda2/bin''' as the '''first element''' in your '''PATH''', and that you do not have '''LD_LIBRARY_PATH''' or '''PYTHONPATH''' (or '''PYTHONHOME''' for some very old python versions) 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.

 1. Download '''Miniconda3''' for [[https://repo.continuum.io/miniconda/Miniconda3-4.6.14-Linux-x86_64.sh|Linux]] or [[https://repo.continuum.io/miniconda/Miniconda3-4.6.14-MacOSX-x86_64.sh|MacOSX]].


{{{#!wiki caution
'''???'''}}}
 1. Install '''Miniconda3'''.
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bash <Miniconda3-installer> bash <Miniconda-installer>
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bash <Miniconda3-installer> --help bash <Miniconda-installer> --help
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 1. Specify package and environment directories outside of the miniconda installation. These are the directories where conda environments and extracted packages will live. If you need to reinstall miniconda, you won't have to re-create your environments and re-download and re-extract all the packages. Reinstallation will only reset the '''base''' environment. First, create the cache directory, if it doesn't exist.  1. Make sure that:
  a. You do '''not''' have any <miniconda/anaconda>/bin entries in '''PATH''' added by your shell initialization files.
  a. You do '''not''' have '''LD_LIBRARY_PATH''' or '''PYTHONPATH''' (or '''PYTHONHOME''' for some very old python versions) 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 EMAN.

 1. Initialize conda for shell interaction, if you haven't done it during installation. At this point, if you have cleaned up your shell initialization files and started a new terminal session, you shouldn't be able to use conda. If that is not the case and you have a working conda, run the following
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  mkdir -p <path-to-conda-cache-directory>
# mkdir -p ~/conda-global-cache
conda init
}}}
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  conda config --add pkgs_dirs <path-to-conda-cache-directory>/pkgs
# conda config --add pkgs_dirs ~/conda-global-cache/pkgs
 If you can't run conda, run
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  conda config --add envs_dirs <path-to-conda-cache-directory>/envs
# conda config --add pkgs_dirs ~/conda-global-cache/envs
 {{{#!highlight bash
source <miniconda-path>/etc/profile.d/conda.sh
conda init
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 For more information on conda-init and activation, see https://docs.conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html#activating-an-environment.

 {{{#!wiki caution
'''MacOSX''' Users

On MacOSX, this modifies '''~/.bash_profile'''. If you have '''~/.profile''' as startup file, only '''~/.bash_profile''' will be read. So, if you want '''~/.profile''' as your startup file, move the contents of '''~/.bash_profile''' into '''~/.profile''' or move contents of '''~/.profile''' into '''~/.bash_profile''' and delete the empty file.

For differences between login- and non-login shells and order of reading the startup files on Mac OSX, see, https://www.anintegratedworld.com/basics-of-osx-bashrc-v-profile-v-bash_profile/.
}}}
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  a. If you don't want conda's base environment to be activated automatically. '''(Optional)'''   This is to prevent automatic upgrades of conda which sometimes introduce breaking changes. The latest version known to work with EMAN is '''conda 4.6.14'''.
a. If you don't want conda's '''base''' environment to be activated automatically. '''(Optional)'''
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  The current default behavior is to automatically activate the base environment. This adds the base environment to PATH and the shell prompt displays the name of the environment. If these are not desired, turn the auto activation off.
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 1. Install '''conda 4.6.14'''.  1. Create a new environment with the dependencies. For the [[https://github.com/cryoem/eman-deps-feedstock/blob/v15.1/recipe/meta.yaml#L9-L53|list of conda dependencies]] that '''eman-deps''' is built from, click [[https://github.com/cryoem/eman-deps-feedstock/blob/v15.1/recipe/meta.yaml#L9-L53|here]].
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conda install conda=4.6.14 -c defaults conda create -n eman eman-deps=15.1 cmake=3.14 -c cryoem -c defaults -c conda-forge
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 1. Initialize conda for shell interaction.  1. '''Get EMAN code''' from [[https://github.com/cryoem/eman2|GitHub:cryoem/eman2]].
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conda init bash

# See command help for supported shells
conda init --help
}}}



== Development Environments ==
{{{#!wiki caution
'''???'''}}}

Do not install anything into the '''base''' environment, do not use the '''base''' environment for development, use '''non-base''' environments.

 1. Create a new environment.
 {{{#!highlight bash
conda create -n eman-deps-14.1 eman-deps=14.1 -c cryoem -c defaults -c conda-forge
}}}
 OR choose a simpler name for the environment, '''eman-env''' or '''eman'''.
 {{{#!highlight bash
conda create -n eman-env eman-deps=14.1 -c cryoem -c defaults -c conda-forge
}}}

 1. Activate the environment.
 {{{#!highlight bash
conda activate eman-deps-14.1
}}}
 OR
 {{{#!highlight bash
conda activate eman-env
}}}

 1. Navigate to your source directory. Checkout a branch and pull updates from the remote.
 {{{#!highlight bash
cd <source-directory>
git checkout <branch>
git pull --rebase
}}}

 1. Navigate to your build directory, build and install.
 {{{#!highlight bash
cd <build-directory>
cmake <eman-source-directory>
make
make install
}}}



== Current Development Environment ==
'''After [[https://github.com/cryoem/eman2/pull/407|PR: Upgrade CMake to 3.14]] is merged.'''

 1. Create a new environment, if it doesn't exist.
 {{{#!highlight bash
conda create -n eman-deps-15.1 eman-deps=15.1 cmake=3.14 -c cryoem -c defaults -c conda-forge
}}}

 1. Activate your environment.
 {{{#!highlight bash
conda activate eman-deps-15.1
}}}

 1. '''Get EMAN2 code if you don't have it''' from [[https://github.com/cryoem/eman2|GitHub:cryoem/eman2]].
 {{{
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git clone https://github.com/cryoem/eman2.git
# this will create an eman2 folder containing the current source code from the master branch
}}}

 1. '''Checkout branch'''. Navigate to your source directory. Checkout a branch and pull updates from the remote.
 {{{#!highlight bash
cd <source-directory>
git checkout master
git pull --rebase
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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}}}


== EMAN Daily Development ==

 1. '''Activate''' your environment.
 {{{#!highlight bash
conda activate eman
}}}

 1. '''Checkout source code''' and pull from the remote.
 {{{#!highlight bash
cd <source-directory> # <path-where-you-want-eman2-source>/eman2
git checkout <branch>
git pull --rebase
}}}

 1. '''Build EMAN'''
 {{{#!highlight bash
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{{{#!wiki caution
'''???'''}}}
  * '''???''' 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'''.
{{{#!wiki caution
'''???'''}}}
   * '''???''' 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.
  * If you use '''cmake-gui''', since conda is not in PATH anymore, cmake will fail to find the environment directory. In that case set CONDA_PREFIX to your conda environment directory manually.
  * Make sure to delete any cmake variables that cmake already found, variables like *_LIBRARY or similar, *_INCLUDE_PATH or similar, CONDA_EXECUTABLE, CMAKE_INSTALL_PREFIX and any variables that are expected to contain conda environment related values.
  * Configure and generate in cmake.
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 1. '''Build EMAN2'''
 {{{
 {{{#!highlight bash
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 {{{  {{{#!highlight bash
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== Linux Clusters ==
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=== Miniconda2 ===

 1. Make sure that you have added '''miniconda2/bin''' as the '''first element''' in your '''PATH''', and 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.

 1. '''Install dependencies''', click [[https://github.com/cryoem/eman-deps-feedstock/blob/e8c31645c2e263efeeff232a7aa8a1e7eea65479/recipe/meta.yaml#L11-L42|here]] for conda dependencies
 {{{
conda install cmake=3.9 -c defaults
conda install eman-deps=14 -c cryoem -c defaults -c conda-forge
}}}

 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
}}}
The approach above will install EMAN 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/2.31#Linux_Clusters|binary install page]]. Those instructions should also work with either of the source-based installations below.

Anaconda based Build, All Platforms (except Windows)

EMAN source lives on GitHub, downloading the source is part of the instructions below. Since EMAN uses Anaconda for its base environment, please follow the instructions below for a painless compile from source. If you go 'off script' you're on your own!

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 as much as 5-7 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 installer options you can choose from for the installation. One is 'Miniconda' and the other is full 'Anaconda'. Miniconda is a much smaller (~30 MB) installer, provides a minimal conda environment. Anaconda is a much more complete environment (~300 MB), including useful tools such as the Jupyter notebook. The installation and environment setup instructions for Miniconda and Anaconda are similar, the only difference is the installer used.

Initial Setup

  1. If you have an existing Miniconda2/Anaconda2 installation which is used by adding it to PATH in shell initialization files, remove that export command that looks like

       1 export PATH=<Miniconda-installation-path>/bin:$PATH
    
  2. Download and install Miniconda for Linux or MacOSX.

       1 bash <Miniconda-installer>
       2 
       3 # See command help for supported options
       4 bash <Miniconda-installer> --help
    
    and follow the prompts.
  3. Make sure that:
    1. You do not have any <miniconda/anaconda>/bin entries in PATH added by your shell initialization files.

    2. You do not have LD_LIBRARY_PATH or PYTHONPATH (or PYTHONHOME for some very old python versions) 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 EMAN.
  4. Initialize conda for shell interaction, if you haven't done it during installation. At this point, if you have cleaned up your shell initialization files and started a new terminal session, you shouldn't be able to use conda. If that is not the case and you have a working conda, run the following
       1 conda init
    
    If you can't run conda, run
       1 source <miniconda-path>/etc/profile.d/conda.sh
       2 conda init
    

    For more information on conda-init and activation, see https://docs.conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html#activating-an-environment.

    MacOSX Users

    On MacOSX, this modifies ~/.bash_profile. If you have ~/.profile as startup file, only ~/.bash_profile will be read. So, if you want ~/.profile as your startup file, move the contents of ~/.bash_profile into ~/.profile or move contents of ~/.profile into ~/.bash_profile and delete the empty file.

    For differences between login- and non-login shells and order of reading the startup files on Mac OSX, see, https://www.anintegratedworld.com/basics-of-osx-bashrc-v-profile-v-bash_profile/.

  5. Configure conda.
    1. Do not update conda automatically. (Strongly recommended)

         1 conda config --set auto_update_conda False
      

      This is to prevent automatic upgrades of conda which sometimes introduce breaking changes. The latest version known to work with EMAN is conda 4.6.14.

    2. If you don't want conda's base environment to be activated automatically. (Optional)

         1 conda config --set auto_activate_base False
      
      The current default behavior is to automatically activate the base environment. This adds the base environment to PATH and the shell prompt displays the name of the environment. If these are not desired, turn the auto activation off.
  6. Create a new environment with the dependencies. For the list of conda dependencies that eman-deps is built from, click here.

       1 conda create -n eman eman-deps=15.1 cmake=3.14 -c cryoem -c defaults -c conda-forge
    
  7. Get EMAN code from GitHub:cryoem/eman2.

       1 cd <path-where-you-want-eman2-source>   # eg - $HOME/src
       2 git clone https://github.com/cryoem/eman2.git # this will create an eman2 folder containing the current source code from the master branch
       3 
    
  8. Create a build directory (out-of-source builds are recommended).

       1 mkdir <build-directory> # eg- $HOME/src/eman2-build
       2 
    

EMAN Daily Development

  1. Activate your environment.

       1 conda activate eman
    
  2. Checkout source code and pull from the remote.

       1 cd <source-directory>  # <path-where-you-want-eman2-source>/eman2
       2 git checkout <branch>
       3 git pull --rebase
    
  3. Build EMAN

       1 cd <build-directory>
       2 cmake <source-directory>   # - eg $HOME/src/eman2. On linux, also add -DENABLE_OPTIMIZE_MACHINE=ON
       3 
    
    • If you use cmake-gui, since conda is not in PATH anymore, cmake will fail to find the environment directory. In that case set CONDA_PREFIX to your conda environment directory manually.

    • Make sure to delete any cmake variables that cmake already found, variables like *_LIBRARY or similar, *_INCLUDE_PATH or similar, CONDA_EXECUTABLE, CMAKE_INSTALL_PREFIX and any variables that are expected to contain conda environment related values.
    • Configure and generate in cmake.
       1 make -j
       2 make install
    
  4. You may also wish to run
       1 make test          # if everything passes you are fine, if there are failures, you are welcome to ask
       2 make test-verbose  # verbose test output to help to identify specific failures
       3 
    
  5. To switch to another conda environment, first deactivate your current environment.
       1 conda deactivate
    

Linux Clusters

The approach above will install EMAN 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.

EMAN2/Install/SourceInstall (last edited 2024-09-13 17:55:35 by TunayDurmaz)