diff --git a/docs/installation.rst b/docs/installation.rst index 28512395..1967ea0d 100644 --- a/docs/installation.rst +++ b/docs/installation.rst @@ -1,5 +1,3 @@ -.. highlight:: shell - ============ Installation ============ @@ -43,36 +41,10 @@ To install with pdf output: $ pip install pyhdx==0.4.0b6[pdf] -.. - From sources - ------------ - - 1. Download or ``git clone`` the master branch of the PyHDX repository - - 2. Create a ``conda`` environment - - .. code-block:: rst - - conda create --name python=3.8 - - 3. Activate conda environment - - .. code-block:: rst - - conda activate - - 4. Install the dependencies - - ``conda install -c conda-forge pyhdx --only-deps`` - 5. Building wheels for the project - ``python setup.py sdist bdist_wheel`` - - 6. Installing the wheels (should be generated in the dist folder) - - ``pip install dist/PyHDX-version.whl`` + Running the web server ---------------------- @@ -104,9 +76,69 @@ This will start a Dask cluster on the scheduler address as specified in the PyHD (user dir / .pyhdx folder) +From sources +------------ + +1. Clone the PyHDX repository and cd into the project's root directory: + .. code-block:: rst + + git clone https://github.com/Jhsmit/PyHDX.git + cd PyHDX + + +2. Create a ``conda`` environment + + .. code-block:: rst + + conda create --name python=3.8 + +3. Activate conda environment + + .. code-block:: rst + + conda activate + +4. Install PyTorch + +If you would like a specific PyTorch version to use with PyHDX (ie CUDA/ROCm support), you should install this first. +Installation instructions are on the Pytorch_ website. + +5. Install other dependencies + + .. code-block:: rst + + conda install -c conda-forge pyhdx=0.4.0b6 --only-deps`` + +This install dependencies only for base PyHDX. To install web application dependencies, +run the `_requirements.py` file in the PyHDX root folder. This generates `reqs-.txt` files which lists +requirements. + + .. code-block:: rst + python _requirements.py + pip install -r reqs-base.txt -r req-web.txt -r req-web.txt + +Or + + .. code-block:: rst + python _requirements.py + conda install --file reqs-base.txt --file req-web.txt --file req-web.txt + + +6. Install PyHDX in editable / development mode + + .. code-block:: rst + + conda develop . + + .. code-block:: rst + + pip install -e . + Dependencies ------------ The requirements for PyHDX are listed in setup.cfg .. _Github repo: https://github.com/Jhsmit/pyhdx + +.. _Pytorch: https://pytorch.org/ diff --git a/pyhdx/web/static/pyhdx_header.png b/pyhdx/web/static/pyhdx_header.png new file mode 100644 index 00000000..6e16275a Binary files /dev/null and b/pyhdx/web/static/pyhdx_header.png differ diff --git a/setup.cfg b/setup.cfg index 1e377386..ce86280e 100644 --- a/setup.cfg +++ b/setup.cfg @@ -51,6 +51,7 @@ web = colorcet >= 0.3.0 hvplot proplot>=0.9.2 + pyyaml pdf = pylatex proplot>=0.9.2 @@ -64,7 +65,7 @@ docs = docutils==0.16 sphinx_copybutton pymol = - pymol + pymol-open-source