Skip to content

Commit

Permalink
Update install instructions ahead of UGM (#324)
Browse files Browse the repository at this point in the history
Co-authored-by: Lily Wang <[email protected]>
  • Loading branch information
IAlibay and lilyminium authored Sep 26, 2023
1 parent 455ec28 commit 9e52363
Showing 1 changed file with 9 additions and 8 deletions.
17 changes: 9 additions & 8 deletions doc/source/contributing_code.rst
Original file line number Diff line number Diff line change
Expand Up @@ -239,12 +239,12 @@ First we need to install dependencies. You'll need a mix of conda and pip instal
'parmed' \
'seaborn' \
'scikit-learn' \
'tidynamics>=1.0.0'
'tidynamics>=1.0.0' \
'mda-xdrlib'
# documentation dependencies
conda install -c conda-forge sphinx pybtex pybtex-docutils \
sphinxcontrib-bibtex mdanalysis-sphinx-theme sphinx-sitemap
python -m pip install
conda install -c conda-forge 'mdanalysis-sphinx-theme>=1.3.0' docutils sphinx-sitemap sphinxcontrib-bibtex pybtex pybtex-docutils
python -m pip install docutils sphinx-sitemap sphinxcontrib-bibtex pybtex pybtex-docutils
Ensure that you have a working C/C++ compiler (e.g. gcc or clang). You will also need Python ≥ 3.9. We will now install MDAnalysis.

Expand Down Expand Up @@ -307,12 +307,13 @@ Install the dependencies:
'parmed' \
'seaborn' \
'scikit-learn' \
'tidynamics>=1.0.0'
'tidynamics>=1.0.0' \
'mda-xdrlib'
# for building documentation
python -m pip install \
sphinx mdanalysis_sphinx_theme sphinx-sitemap \
pybtex pybtex-docutils sphinxcontrib-bibtex
sphinx 'mdanalysis-sphinx-theme>=1.3.0' sphinx-sitemap \
pybtex docutils pybtex-docutils sphinxcontrib-bibtex
Some packages, such as ``clustalw``, are not available via pip.

Expand All @@ -338,7 +339,7 @@ At this point you should be able to import MDAnalysis from your locally built ve
$ python # start an interpreter
>>> import MDAnalysis as mda
>>> mda.__version__
'2.6.0-dev0'
'2.7.0-dev0'
.. _branches-in-mdanalysis:
Expand Down

0 comments on commit 9e52363

Please sign in to comment.