blob: 8151acf9f3793b4d5abfda028b2c01a8afa82644 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
|
# Curie-Web
Tested on:
* macOS 10.15 (Catalina)
* Ubuntu 20.04 - Raspberry Pi 4
## 1. Installing Dependencies
### 1.1 Docker
Once you have installed docker, make sure to pull the following images (Otherwise, these will automatically get downloaded when you run the web-server)
* navanchauhan/curie-cli (amd64/aarch64)
* navanchauhan/usd-from-gltf (aarch64)
* leon/usd-from-gltf (amd64)
### 1.2 PLIP
Install from [pharmai/plip](https://github.com/pharmai/plip).
In case you have problems installing it, install it from the forked repo [navanchauhan/plip](https://github.com/navanchauhan/plip)
### 1.3 PyMOL with Python Bindings (version >= 2.0)
* macOS users can use Homebrew to install it via `brew install pymol`
* Users using apt can install it via `sudo apt install pymol`
### 1.4 Open-Babel (version >= 3.0)
macOS users can use Homebrew to install it via `brew install open-babel`
Users using apt can install it via `sudo apt install openbabel python3-openbabel`
## 2. Changing the Configuration
Replace the values in `config.ini`
Default Values:
```ini
[DATABASE]
HOST = navanspi.duckdns.org
PORT = 3306
USER = curieweb
PASSWORD = curie-web-russian-54
NAME = curie
[SMTP]
SERVER = smtp.gmail.com
PORT = 587
EMAIL = navanchauhan@gmail.com
PASSWORD = okrs shoc ahtk idui
[LOGS]
LOG = True
SAVE_LOGS = False
[FILES]
UPLOAD_FOLDER = ./app/static/uploads
LOG_FOLDER = ./app/logs/
[EXECUTION]
INSTANT = True
[FEATURES]
LSTM = False
```
### **Database**
| Name | Description |
|----------|---------------------|
| HOST | MySQL Database Host |
| PORT | MySQL Database Port |
| USER | Username |
| PASSWORD | Password |
| NAME | MySQL Database Name |
### **SMTP**
| Name | Description |
|----------|-------------|
| SERVER | SMTP Server |
| PORT | SMTP Port |
| EMAIL | Email |
| PASSWORD | Password |
### **LOGS**
| Name | Description |
|-----------|-------------|
| LOG | Log |
| SAVE_LOGS | SAVE LOGS |
### **FILES**
| Name | Description |
|---------------|-----------------------|
| UPLOAD_FOLDER | Folder to store files |
| LOG_FOLDER | Folder to store logs |
### **EXECUTION**
| Name | Description |
|---------------|-----------------------|
| INSTANT | Whether to run the docking jobs instantly (True or False) |
### **FEATURES**
| Name | Description |
|---------------|-----------------------|
| LSTM | Enable LSTM Generator (True or False) |
## 3. Adding AR Model Support
Make sure you have PyMOL 2.0 or higher
Either download the precompiled binaries from [COLLADA2GLTF](https://github.com/KhronosGroup/COLLADA2GLTF) or compile it on your own
Once you have the `COLLADA2GLTF-bin` file, copy the file:
```
cp COLLADA2GLTF-bin /usr/local/bin/collada2gltf
```
## 4. Setting up the Database
You will first need to create a database and grant all priviliges to a user. Make sure you have correctly configured the `config.ini` file.
After tha simply run the following commands. This will create the table(s) and check if the backend is working or not.
```
cd tests
python3 dbTestFiller.py
python3 backendTest.py
python3 removeSample.py
```
## 5. Running
### Without FastAPI
`gunicorn api:app -b "0.0.0.0:7589"`
### With FastAPI
`gunicorn api:app -k uvicorn.workers.UvicornWorker -b "0.0.0.0:7589"`
### systemd
**There is a sample systemd file in the misc folder**
* Configure the file and then copy it to `/etc/systemd/system`
* You can start the server by running `sudo systemctl start curie`
* To enable the server to start on boot run `sudo systemctl enable curie`
|
