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<<TableOfContents()>>

= Anaconda based Build, All Platforms (except Windows) =

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

EMAN2 has a number of dependencies, the most important of which is Python, and some of these dependencies require specific versions. Rather than struggling with system library incompatibilities and other issues, EMAN2 has adopted Anaconda as its install environment. This (FOSS) system provides a cross-platform compatible environment in which specific library versions can be installed without interfering with anything else on the system, and can support multiple such environments within one Anaconda installation. While it ''may'' still be possible to compile EMAN2 without Anaoconda, this is an unsupported approach, and you should anticipate a fair amount of effort. If you follow the instructions below, you should have a painless source build (Linux/Mac only) very quickly.
## page was renamed from EMAN2/COMPILE_EMAN2_ANACONDA-DRAFT
## <<TableOfContents()>>

{{{#!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.
}}}

'''''WARNING: As of Dec 4, 2019 we have started the transition from Python 2 to Python 3. The "master" branch of EMAN2/SPHIRE/SPARX will not be fully functional until we complete the final stage of the transition. This warning will be removed at that time. You have 2 choices:
 * to use the last stable Python 2 source: download from github as of 12/03/19 and follow the instruction up to, but not including the Python 3 section
 * to work with the unstable Python 3 version: follow the complete set of instructions on this page through the end
 * It is perfectly fine to have Python 2 and Python 3 versions installed in different environments with the same Anaconda install (the instructions below do this), but different github checkouts will be required for each.
'''''

= 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.
Line 11: Line 24:
=== GPU Support === === GPU Support (Linux Only!) ===
Line 15: Line 28:
== Installing EMAN2/SPHIRE/SPARX from source == == Building and Installing EMAN2/SPHIRE/SPARX ==
Line 21: Line 34:
=== Initial Setup ===

 1. If you do not have Anaconda/Miniconda (or another copy of EMAN2/SPARX/SPHIRE) already installed in your account, skip to the next step. If you DO have Anaconda or Miniconda installed in your account, these instructions will be installing a new complete copy of Miniconda, so 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 install, you would need to adapt these instructions to your own situation yourself to do that.
=== 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.
Line 34: Line 47:
 1. Download and install this version of '''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]].  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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# we suggest the following, meaning you will need to use ''conda activate'' after logging in before using EMAN2
conda config --set auto_activate_base False
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  a. Do not update conda automatically. '''(Strongly recommended)'''
  {{{#!highlight bash
 {{{#!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'''
Line 73: Line 90:
  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)'''
  {{{#!highlight bash
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.

 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]].
 {{{#!highlight bash
conda create -n eman eman-deps=15.1 cmake=3.14 -c cryoem -c defaults -c conda-forge
}}}

 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 create -n eman2 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/v16.1/recipe/meta.yaml#L9-L53|list of conda dependencies]] that '''eman-deps''' is built from, look [[https://github.com/cryoem/eman-deps-feedstock/blob/v16.1/recipe/meta.yaml#L9-L53|here]].
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== EMAN Daily Development ==

1. '''Activate''' your environment.
 {{{#!highlight bash
conda activate eman
 1. '''Activate''' your environment. If you used a different name above, use it here too.
 {{{#!highlight bash
conda activate eman2
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git checkout <branch>
git pull --rebase
git fetch --all
git checkout python2 # this is the tag pointing to the last python 2 code
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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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  * If you use '''ccmake''', you may get an error related to OpenGL. If this happens try quitting ccmake and running it again.
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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.
 {{{#!highlight bash

== Python 3 Environment ==

 1. To setup a python 3 environment with all the proper dependencies, create and activate a conda environment with the following commands.

 {{{#!highlight bash
conda create -n py3 eman-deps=18.1 cmake=3.14 boost=1.66 -c cryoem -c defaults -c conda-forge
}}}


 You can replace "py3" with another name for the environment.

 1.
  a. If you are in the "base" environment, activate your new environment with python 3.
  {{{#!highlight bash
conda activate py3
}}}

  a. If you are in your "eman2" environment, first deactivate it, then activate "py3".
  {{{#!highlight bash
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conda activate py3
}}}

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


== Debugging and Reporting ==

Please, include the output of the following items when reporting a problem.

 1. If '''make test''' fails, run the verbose tests.

 {{{#!highlight bash
make test-verbose
}}}

 1. In the source directory, run
 {{{#!highlight bash
git status
git log -1
}}}

 1. {{{#!highlight bash
conda info -a
conda list


# This is not always needed.
# It will print urls of packages and should be needed
# only if the previous output is not sufficient.
conda list --explicit
}}}

 1. In the build directory, run
 {{{#!highlight bash
cmake . -LA
}}}


=== Alternitavely... ===

It could be better to record the session via '''script'''. This, also, records the commands.

 1. {{{#!highlight bash
script filename.txt

conda activate py3

cd <source-dir>
git status
git log -1

cd <build-dir>
rm CMakeCache.txt
cmake <source-dir>
make clean
make -j
make install
make test-verbose

conda info -a
conda list
conda list --explicit

cmake . -LA

conda deactivate

exit # or Ctrl+D
}}}

 1. Send '''filename.txt'''.



== 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.
 {{{#!highlight bash
conda deactivate
Line 139: Line 276:
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. 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 the source-based installations above.

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

WARNING: As of Dec 4, 2019 we have started the transition from Python 2 to Python 3. The "master" branch of EMAN2/SPHIRE/SPARX will not be fully functional until we complete the final stage of the transition. This warning will be removed at that time. You have 2 choices:

  • to use the last stable Python 2 source: download from github as of 12/03/19 and follow the instruction up to, but not including the Python 3 section
  • to work with the unstable Python 3 version: follow the complete set of instructions on this page through the end
  • It is perfectly fine to have Python 2 and Python 3 versions installed in different environments with the same Anaconda install (the instructions below do this), but different github checkouts will be required for each.

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 (Linux Only!)

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 create -n eman2 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 fetch --all
       3 git checkout python2   # this is the tag pointing to the last python 2 code
       4 
    
  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 
    

Python 3 Environment

  1. To setup a python 3 environment with all the proper dependencies, create and activate a conda environment with the following commands.
       1 conda create -n py3 eman-deps=18.1 cmake=3.14 boost=1.66 -c cryoem -c defaults -c conda-forge
    
    You can replace "py3" with another name for the environment.
    1. If you are in the "base" environment, activate your new environment with python 3.
         1 conda activate py3
      
    2. If you are in your "eman2" environment, first deactivate it, then activate "py3".
         1 conda deactivate
         2 conda activate py3
      
  2. Checkout source code and pull from the remote.

       1 cd <source-directory>  # <path-where-you-want-eman2-source>/eman2
       2 git fetch --all --prune
       3 git checkout master
    

Debugging and Reporting

Please, include the output of the following items when reporting a problem.

  1. If make test fails, run the verbose tests.

       1 make test-verbose
    
  2. In the source directory, run
       1 git status
       2 git log -1
    
  3.    1 conda info -a
       2 conda list
       3 
       4 
       5 # This is not always needed.
       6 # It will print urls of packages and should be needed
       7 # only if the previous output is not sufficient.
       8 conda list --explicit
    
  4. In the build directory, run
       1 cmake . -LA
    

Alternitavely...

It could be better to record the session via script. This, also, records the commands.

  1.    1 script filename.txt
       2 
       3 conda activate py3
       4 
       5 cd <source-dir>
       6 git status
       7 git log -1
       8 
       9 cd <build-dir>
      10 rm CMakeCache.txt
      11 cmake <source-dir>
      12 make clean
      13 make -j
      14 make install
      15 make test-verbose
      16 
      17 conda info -a
      18 conda list
      19 conda list --explicit
      20 
      21 cmake . -LA
      22 
      23 conda deactivate
      24 
      25 exit # or Ctrl+D
      26 
    
  2. Send filename.txt.

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 the source-based installations above.

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