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<<TableOfContents()>> ## page was renamed from EMAN2/COMPILE_EMAN2_ANACONDA-DRAFT
## <<TableOfContents()>>
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= Anaconda based Build, All Platforms (except Windows) = {{{#!wiki note
Instructions from before the change to Anaconda are [[EMAN2/COMPILE_EMAN2_ANACONDA-PRE-CONDA-ENVIRONMENTS|here]], but they likely will not work with current versions of the source.
}}}
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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! = Building EMAN2/SPARX/SPHIRE from Source =

''The EMAN2 source lives on [[https://github.com/cryoem/eman2|GitHub]], downloading the source is part of the instructions below. '''Do not download it yet!''' ''

These are the standard instructions for establishing a build and runtime environment for EMAN2/SPARX/SPHIRE on Linux and Mac. While the instructions look long, in reality it should only take 10-15 minutes to complete the entire process (with a decent network connection). This build uses [[https://www.anaconda.com/distribution/|Anaconda/Miniconda]] for a working environment and most of the dependencies. Anaconda has become ubiquitous for Python and R-based scientific computing and education over the last decade. While it may be possible to build the system without using Anaconda, we do not recommend doing this, and cannot provide support for a non-Anaconda approach. If you follow the instructions below, you should have a painless source build very quickly.

Building on Windows is so complicated that we cannot provide generic instructions at this point in time.
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=== GPU Support ===
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== GPU Support == For features which support the GPU, please complete the standard 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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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. == Building and Installing EMAN2/SPHIRE/SPARX ==
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Anaconda comes in two flavors ''Anaconda'' which is a full featured system with many libraries and capabilities built in, and ''Miniconda'' which is a stripped down version of the system. Both systems are the same, it is just a question of which packages come preinstalled. These instructions are based on the smaller Miniconda install. You may also have success with Anaconda, but a better approach may be to install Miniconda, then add in any extra packages you actually need.
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== Mac OS X, Linux == We make use of the [[https://docs.conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html|environment]] system in Anaconda to isolate EMAN2 dependencies from other Anaconda packages you may have installed. If you need to install other packages you wish to use in concert with EMAN2, you will need to install them within the EMAN2 environment. Be warned that sometimes installing another package may trigger a version change in one of EMAN2's dependencies, which may or may not be a problem, depending on which dependency it is. We strongly suggest getting the base EMAN2 installed and working first, before trying to install any additional packages within the same Anaconda environment.
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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]]. === Initial Setup and Build (one time) ===
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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. Remove/deactivate other Anaconda installs. If you do not have Anaconda/Miniconda (or another copy of EMAN2/SPARX/SPHIRE) already installed in your account, skip to step 2. If you DO have Anaconda or Miniconda installed in your account, you must insure that any existing install you have is not active in your shell (not in PATH, no LD_LIBRARY_PATH or PYTHONPATH set). While it may also be possible to set up an environment for EMAN2 in your existing Anaconda install, you will need to know what you're doing, and adapt these instructions to your situation.
 {{{#!highlight bash
echo $PATH
# make sure no Anaconda/Miniconda/EMAN2 entries
echo $LD_LIBRARY_PATH
echo $PYTHONPATH
# ideally, both return nothing. If it set to something it is possible that it may interfere with Anaconda
# strongly suggest at least during the install, ''unset'' both of these. After installation you can test
# to see if they cause any issues
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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 this specific version of '''Miniconda''': [[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>
 {{{#!highlight bash
bash <Miniconda-installer>

# There are a variety of options you can use, but the default command above is sufficient in most cases
bash <Miniconda-installer> --help
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 and follow the prompts. When you see ''Do you wish the installer to initialize Miniconda3 by running conda init?'', say ''no'', then move on to the next step.
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 1. Make sure 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 EMAN.  1. Initialize conda for shell interaction. These instructions will depend on what shell you use. The default on most systems is ''bash''. If you use a different shell ( ''tsch'', ''zsh'', ... ), you will need to take this into account:
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 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]].  {{{#!highlight bash
# for bash-like shells, such as bash and zsh
source <miniconda-path>/etc/profile.d/conda.sh
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 1. Install '''Miniconda3'''.
 {{{#!highlight bash
bash <Miniconda3-installer>
# for csh-like shells, such as csh and tcsh:
source <miniconda-path>/etc/profile.d/conda.csh
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# See command help for supported options
bash <Miniconda3-installer> --help
}}}
 and follow the prompts.
# <shell-name> is bash, fish, powershell, tcsh, xonsh or zsh
conda init <shell-name>
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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.
 {{{#!highlight bash
  mkdir -p <path-to-conda-cache-directory>
# mkdir -p ~/conda-global-cache

  conda config --add pkgs_dirs <path-to-conda-cache-directory>/pkgs
# conda config --add pkgs_dirs ~/conda-global-cache/pkgs

  conda config --add envs_dirs <path-to-conda-cache-directory>/envs
# conda config --add pkgs_dirs ~/conda-global-cache/envs
}}}

 1. Configure conda.
  a. Do not update conda automatically. '''(Strongly recommended)'''
  {{{#!highlight bash
conda config --set auto_update_conda False
}}}
  a. If you don't want conda's base environment to be activated automatically. '''(Optional)'''
  {{{#!highlight bash
# we suggest the following, meaning you will need to use ''conda activate'' after logging in before using EMAN2
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 1. Install '''conda 4.6.14'''.
 {{{#!highlight bash
conda install conda=4.6.14 -c defaults
}}}
 As it says after you run this command, you will need to close and reopen your shell/terminal for it to take effect. This command modified your shell initialization so the ''conda activate'' command can be used properly. 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|Environment Activation]].
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 1. Initialize conda for shell interaction.
 {{{#!highlight bash
conda init bash
 {{{#!wiki caution
'''MacOS''' Users (bash only)
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# See command help for supported shells
conda init --help
On MacOS, this modifies ''~/.bash_profile''. If you have a ''~/.profile'' startup file, creation of ''~/.bash_profile'' will prevent ''~/.profile'' from being read. A simple solution is to ''source .profile'' within ''.bash_profile''.

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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== EMAN Development Environment ==

{{{#!wiki warning
Do not install anything except conda-related packages into the '''base''' environment, do not use the '''base''' environment for development, use '''non-base''' environments.
 1. Configure conda.
 {{{#!highlight bash
# Automatic Anaconda/Miniconda updates may cause things to break, so we suggest making all package upgrades explicitly
# The current version verified to work with EMAN is '''conda 4.6.14'''
conda config --set auto_update_conda False
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 1. Create a new environment with EMAN2 dependencies. ''eman2'' below is the name of the environment. You may make this whatever you like, as long as you remember to use the same name when doing ''conda activate''. Note that this name will appear as part of your prompt when activated, so you may want to keep it short.
 {{{#!highlight bash
conda install eman-deps=16.1 cmake=3.14 boost=1.66 -c cryoem -c defaults -c conda-forge
}}}
 If you wish to see 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, look [[https://github.com/cryoem/eman-deps-feedstock/blob/v15.1/recipe/meta.yaml#L9-L53|here]].
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 1. Create a new environment with the dependencies, if it doesn't exist. Click [[https://github.com/cryoem/eman-deps-feedstock/blob/v15.1/recipe/meta.yaml#L9-L53|here]] for a list of conda dependencies.  1. '''Get EMAN code''' from [[https://github.com/cryoem/eman2|GitHub:cryoem/eman2]].
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conda create -n eman-deps-15.1 eman-deps=15.1 cmake=3.14 -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=15.1 cmake=3.14 -c cryoem -c defaults -c conda-forge
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. '''Activate''' the environment.
 1. '''Create a build directory''' (out-of-source builds are recommended).
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conda activate eman-deps-15.1
}}}
 OR
 {{{#!highlight bash
conda activate eman-env
mkdir <build-directory> # eg- $HOME/src/eman2-build
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 1. '''Get EMAN code if you don't have it''' from [[https://github.com/cryoem/eman2|GitHub:cryoem/eman2]].
 1. '''Activate''' your environment. If you used a different name above, use it here too.
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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
conda activate eman2
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 1. '''Create a build directory''' (out-of-source builds are recommended).  1. '''Build EMAN'''
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mkdir <build-directory> # eg- $HOME/src/eman2-build
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cmake <source-directory> # - eg $HOME/src/eman2. On linux, also add -DENABLE_OPTIMIZE_MACHINE=ON # on Mac:
cmake <source-directory> # - eg $HOME/src/eman2, optionally add -DCMAKE_VERBOSE_MAKEFILE

# on Linux:
cmake <source-directory> -DENABLE_OPTIMIZE_MACHINE=ON # - eg $HOME/src/eman2, optionally add -DCMAKE_VERBOSE_MAKEFILE
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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.
  * If you use '''ccmake''', you may get an error related to OpenGL. If this happens try quitting ccmake and running it again.
  * 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 EMAN'''
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make test # if everything passes you are fine, if there are failures, you are welcome to ask make test # if everything passes you are fine, if there are failures, please ask. A failure does not necessarily mean a bad build, it may be a problem with the test.
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 1. To switch to another conda environment, first deactivate your current environment.
== EMAN Daily Development ==
When you start a new shell, these are the steps you will need to take before running EMAN2 programs or compiling the system:

 1. '''Activate''' your environment. If you used a different name above, use it here too.
 {{{#!highlight bash
conda activate eman2
}}}

 1. '''Update'''. Periodically you should update your source using standard git techniques. If you are not modifying EMAN, just compiling from source, you just need to periodically:
 {{{#!highlight bash
cd <source-directory> # <path-where-you-want-eman2-source>/eman2
git pull
}}}

 1. '''Build EMAN'''
 {{{#!highlight bash
cd <build-directory>
make -j
# if there are build problems, before reporting them, try rerunning cmake (above) first
make install
}}}

 1. '''Other Environments'''. To switch to another conda environment (stop working with EMAN2), first deactivate your current environment.
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== 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 [[EMAN2/Install/BinaryInstallAnaconda/2.31#Linux_Clusters|binary install page]]. Those instructions should also work with either of the source-based installations below.

Instructions from before the change to Anaconda are here, but they likely will not work with current versions of the source.

Building EMAN2/SPARX/SPHIRE from Source

The EMAN2 source lives on GitHub, downloading the source is part of the instructions below. Do not download it yet!

These are the standard instructions for establishing a build and runtime environment for EMAN2/SPARX/SPHIRE on Linux and Mac. While the instructions look long, in reality it should only take 10-15 minutes to complete the entire process (with a decent network connection). This build uses Anaconda/Miniconda for a working environment and most of the dependencies. Anaconda has become ubiquitous for Python and R-based scientific computing and education over the last decade. While it may be possible to build the system without using Anaconda, we do not recommend doing this, and cannot provide support for a non-Anaconda approach. If you follow the instructions below, you should have a painless source build very quickly.

Building on Windows is so complicated that we cannot provide generic instructions at this point in time.

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 standard source install instructions below, then follow the GPU instructions from the binary installation page.

Building and Installing EMAN2/SPHIRE/SPARX

Anaconda comes in two flavors Anaconda which is a full featured system with many libraries and capabilities built in, and Miniconda which is a stripped down version of the system. Both systems are the same, it is just a question of which packages come preinstalled. These instructions are based on the smaller Miniconda install. You may also have success with Anaconda, but a better approach may be to install Miniconda, then add in any extra packages you actually need.

We make use of the environment system in Anaconda to isolate EMAN2 dependencies from other Anaconda packages you may have installed. If you need to install other packages you wish to use in concert with EMAN2, you will need to install them within the EMAN2 environment. Be warned that sometimes installing another package may trigger a version change in one of EMAN2's dependencies, which may or may not be a problem, depending on which dependency it is. We strongly suggest getting the base EMAN2 installed and working first, before trying to install any additional packages within the same Anaconda environment.

Initial Setup and Build (one time)

  1. Remove/deactivate other Anaconda installs. If you do not have Anaconda/Miniconda (or another copy of EMAN2/SPARX/SPHIRE) already installed in your account, skip to step 2. If you DO have Anaconda or Miniconda installed in your account, you must insure that any existing install you have is not active in your shell (not in PATH, no LD_LIBRARY_PATH or PYTHONPATH set). While it may also be possible to set up an environment for EMAN2 in your existing Anaconda install, you will need to know what you're doing, and adapt these instructions to your situation.
       1 echo $PATH
       2 # make sure no Anaconda/Miniconda/EMAN2 entries
       3 echo $LD_LIBRARY_PATH
       4 echo $PYTHONPATH
       5 # ideally, both return nothing. If it set to something it is possible that it may interfere with Anaconda
       6 # strongly suggest at least during the install, ''unset'' both of these. After installation you can test
       7 # to see if they cause any issues
       8 
    
  2. Download and install this specific version of Miniconda: Linux or MacOSX

       1 bash <Miniconda-installer>
       2 
       3 # There are a variety of options you can use, but the default command above is sufficient in most cases
       4 bash <Miniconda-installer> --help
    

    and follow the prompts. When you see Do you wish the installer to initialize Miniconda3 by running conda init?, say no, then move on to the next step.

  3. Initialize conda for shell interaction. These instructions will depend on what shell you use. The default on most systems is bash. If you use a different shell ( tsch, zsh, ... ), you will need to take this into account:

       1 # for bash-like shells, such as bash and zsh
       2 source <miniconda-path>/etc/profile.d/conda.sh
       3 
       4 # for csh-like shells, such as csh and tcsh:
       5 source <miniconda-path>/etc/profile.d/conda.csh
       6 
       7 # <shell-name> is bash, fish, powershell, tcsh, xonsh or zsh
       8 conda init <shell-name>
       9 
      10 # we suggest the following, meaning you will need to use ''conda activate'' after logging in before using EMAN2
      11 conda config --set auto_activate_base False
    

    As it says after you run this command, you will need to close and reopen your shell/terminal for it to take effect. This command modified your shell initialization so the conda activate command can be used properly. For more information on conda-init and activation, see Environment Activation.

    MacOS Users (bash only)

    On MacOS, this modifies ~/.bash_profile. If you have a ~/.profile startup file, creation of ~/.bash_profile will prevent ~/.profile from being read. A simple solution is to source .profile within .bash_profile.

    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/.

  4. Configure conda.
       1 # Automatic Anaconda/Miniconda updates may cause things to break, so we suggest making all package upgrades explicitly
       2 # The current version verified to work with EMAN is '''conda 4.6.14'''
       3 conda config --set auto_update_conda False
    
  5. Create a new environment with EMAN2 dependencies. eman2 below is the name of the environment. You may make this whatever you like, as long as you remember to use the same name when doing conda activate. Note that this name will appear as part of your prompt when activated, so you may want to keep it short.

       1 conda install eman-deps=16.1 cmake=3.14 boost=1.66 -c cryoem -c defaults -c conda-forge
    

    If you wish to see the list of conda dependencies that eman-deps is built from, look here.

  6. 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 
    
  7. Create a build directory (out-of-source builds are recommended).

       1 mkdir <build-directory> # eg- $HOME/src/eman2-build
       2 
    
  8. Activate your environment. If you used a different name above, use it here too.

       1 conda activate eman2
    
  9. 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
    
  10. Build EMAN

       1 cd <build-directory>
       2 # on Mac:
       3 cmake <source-directory>   # - eg $HOME/src/eman2, optionally add -DCMAKE_VERBOSE_MAKEFILE
       4 
       5 # on Linux:
       6 cmake <source-directory> -DENABLE_OPTIMIZE_MACHINE=ON  # - eg $HOME/src/eman2, optionally add -DCMAKE_VERBOSE_MAKEFILE
       7 
    
    • 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.

    • If you use ccmake, you may get an error related to OpenGL. If this happens try quitting ccmake and running it again.

    • 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
    
  11. You may also wish to run
       1 make test          # if everything passes you are fine, if there are failures, please ask. A failure does not necessarily mean a bad build, it may be a problem with the test.
       2 make test-verbose  # verbose test output to help to identify specific failures
       3 
    

EMAN Daily Development

When you start a new shell, these are the steps you will need to take before running EMAN2 programs or compiling the system:

  1. Activate your environment. If you used a different name above, use it here too.

       1 conda activate eman2
    
  2. Update. Periodically you should update your source using standard git techniques. If you are not modifying EMAN, just compiling from source, you just need to periodically:

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

       1 cd <build-directory>
       2 make -j
       3 # if there are build problems, before reporting them, try rerunning cmake (above) first
       4 make install
    
  4. Other Environments. To switch to another conda environment (stop working with EMAN2), 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)