@@ -42,9 +42,51 @@ To install with pdf output:
4242 $ pip install pyhdx==0.4.0b8[pdf]
4343
4444
45+ Install from source
46+ -------------------
47+
48+ Create a new conda environment:
49+
50+ .. code-block ::
51+
52+ $ conda create --name py38_pyhdx python=3.8
53+ # conda activate py38_pyhdx
54+
55+ Clone the github repository:
56+
57+ .. code-block :: rst
58+
59+ $ git clone https://github.com/Jhsmit/PyHDX
60+ $ cd PyHDX
61+
62+ Generate conda requirements files from `setup.cfg `:
63+
64+ .. code-block :: rst
65+
66+ $ python _requirements.py
67+
68+ Install the base dependencies and optional extras. For example, to install PyHDX with web app:
69+
70+ .. code-block :: rst
71+
72+ $ conda install --file _req-base.txt --file _req-web.txt
73+
74+ To run the web application:
75+
76+ .. code-block ::
77+
78+ $ python pyhdx/web/serve.py
79+
80+ This runs the pyhx web application without a Dask cluster to submit jobs to, so
81+ submitting a fitting job will give an error.
82+
83+ To start a dask cluster separately, open another terminal tab and run:
84+
85+ .. code-block :: rst
86+
87+ python local_cluster.py
4588
4689
47-
4890
4991 Running the web server
5092----------------------
@@ -76,68 +118,65 @@ This will start a Dask cluster on the scheduler address as specified in the PyHD
76118(user dir / .pyhdx folder)
77119
78120
79- From sources
80- ------------
121+ Install from source
122+ -------------------
81123
82- 1. Clone the PyHDX repository and cd into the project's root directory:
83- .. code-block :: rst
124+ Create a new conda environment:
84125
85- git clone https://github.com/Jhsmit/PyHDX.git
86- cd PyHDX
126+ .. code-block ::
87127
128+ $ conda create --name py38_pyhdx python=3.8
129+ # conda activate py38_pyhdx
88130
89- 2. Create a `` conda `` environment
131+ Clone the github repository:
90132
91- .. code-block :: rst
133+ .. code-block :: rst
92134
93- conda create --name <name> python=3.8
135+ $ git clone https://github.com/Jhsmit/PyHDX
136+ $ cd PyHDX
94137
95- 3. Activate conda environment
138+ Generate conda requirements files ` from setup.cfg `:
96139
97- .. code-block :: rst
140+ .. code-block :: rst
98141
99- conda activate <name>
142+ $ python _requirements.py
100143
101- 4. Install PyTorch
102144
103- If you would like a specific PyTorch version to use with PyHDX (ie CUDA/ROCm support), you should install this first.
145+ First, if you would like a specific PyTorch version to use with PyHDX (ie CUDA/ROCm support), you should install this first.
104146Installation instructions are on the Pytorch _ website.
105147
106- 5. Install other dependencies
148+ Then, install the other base dependencies and optional extras. For example, to install PyHDX with web app:
149+
150+ .. code-block :: rst
107151
108- .. code-block :: rst
152+ $ conda install --file _req-base.txt --file _req-web.txt
109153
110- conda install -c conda-forge pyhdx=0.4.0b7 --only-deps``
154+ Optionally, install PyHDX in develop/editable mode
111155
112- This install dependencies only for base PyHDX. To install web application dependencies,
113- run the `_requirements.py ` file in the PyHDX root folder. This generates `reqs-<extra>.txt ` files which lists
114- requirements.
156+ .. code-block :: rst
115157
116- .. code-block :: rst
117- python _requirements.py
118- pip install -r reqs-base.txt -r req-web.txt -r req-web.txt
158+ conda develop .
119159
120- Or
160+ To run the web application:
121161
122- .. code-block :: rst
123- python _requirements.py
124- conda install --file reqs-base.txt --file req-web.txt --file req-web.txt
162+ .. code-block ::
125163
164+ $ python pyhdx/web/serve.py
126165
127- 6. Install PyHDX in editable / development mode
166+ This runs the pyhx web application without a Dask cluster to submit jobs to, so
167+ submitting a fitting job will give an error.
128168
129- .. code-block :: rst
169+ To start a dask cluster separately, open another terminal tab and run:
130170
131- conda develop .
171+ .. code-block :: rst
132172
133- .. code-block :: rst
173+ python local_cluster.py
134174
135- pip install -e .
136175
137176 Dependencies
138177------------
139178
140- The requirements for PyHDX are listed in setup.cfg
179+ The requirements for PyHDX and its extras are listed in setup.cfg
141180
142181.. _Github repo : https://github.com/Jhsmit/pyhdx
143182
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