-
Notifications
You must be signed in to change notification settings - Fork 9
224 lines (186 loc) · 9.1 KB
/
build.yml
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
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
name: build
on: [push, pull_request]
jobs:
build_win:
name: Build on Windows
runs-on: windows-2019
steps:
- uses: actions/checkout@v3
- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10.x'
- name: Install requirements
run: |
pip install -r requirements.txt
python package\slim_meeko.py
pip install plip==2.2.2 --no-deps
pip install git+https://github.com/lmdu/AutoDockTools_py3
pip install https://github.com/lmdu/pymol-wheel/releases/download/2.6.0.post4/pymol-2.6.0a0-cp310-cp310-win_amd64.whl
pip install https://github.com/lmdu/openbabel-wheel/releases/download/3.1.1.post8/openbabel-3.1.1-cp310-cp310-win_amd64.whl
pip install https://github.com/lmdu/openmm-wheel/releases/download/8.0.0.post1/OpenMM-8.0.0-cp310-cp310-win_amd64.whl
pip install https://github.com/openmm/pdbfixer/archive/refs/tags/1.9.tar.gz
- name: Build executable
run: pyinstaller package/build.spec
- name: Package
run: |
$line = Select-String -Path src\config.py -Pattern 'DOCKEY_VERSION =' | Out-String
$version = $line.Split('"')[1]
iscc /DMyAppVersion=$version package/build_win_installer.iss
cd dist
7z a Dockey-v$version-win64-portable.7z Dockey
- uses: actions/upload-artifact@v3
with:
name: Dockey-win64
path: |
dist/*.exe
dist/*.7z
- uses: softprops/action-gh-release@v1
if: startsWith(github.ref, 'refs/tags/')
with:
files: |
dist/*.exe
dist/*.7z
build_ubuntu:
name: Build on Ubuntu20.04
runs-on: ubuntu-20.04
steps:
- uses: actions/checkout@v3
- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10.x'
- name: Install gcc10
run: |
sudo update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-10 10
sudo update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-10 10
- name: Install Linux requirements
run: |
sudo rm /var/cache/debconf/config.dat
sudo dpkg --configure -a
sudo add-apt-repository ppa:ubuntu-toolchain-r/test -y
sudo apt update
sudo apt upgrade
sudo apt install -y build-essential checkinstall libegl-dev zlib1g-dev libssl-dev ninja-build autoconf libx11-dev libx11-xcb-dev libfontenc-dev libice-dev libsm-dev libxau-dev libxaw7-dev libxcomposite-dev libxcursor-dev libxdamage-dev libxdmcp-dev libxext-dev libxfixes-dev libxi-dev libxinerama-dev libxkbfile-dev libxmu-dev libxmuu-dev libxpm-dev libxrandr-dev libxrender-dev libxres-dev libxss-dev libxt-dev libxtst-dev libxv-dev libxvmc-dev libxxf86vm-dev xtrans-dev libxcb-render0-dev libxcb-render-util0-dev libxkbcommon-x11-0 libxcb-xkb1 libxcb-xkb-dev libxcb-icccm4-dev libxcb-image0-dev libxcb-keysyms1-dev libxcb-randr0-dev libxcb-shape0-dev libxcb-sync-dev libxcb-xfixes0-dev libxcb-xinerama0-dev xkb-data libxcb-dri3-dev uuid-dev libxcb-util-dev libxcb-cursor-dev libxkbcommon-x11-dev pkg-config
- name: Install build requirements
run: |
pip3 install -r requirements.txt
pip3 install plip==2.2.2 --no-deps
python3 package/slim_meeko.py
pip3 install git+https://github.com/lmdu/AutoDockTools_py3
pip3 install https://github.com/lmdu/pymol-wheel/releases/download/2.6.0.post4/pymol-2.6.0a0-cp310-cp310-manylinux_2_28_x86_64.whl
pip3 install https://github.com/lmdu/openbabel-wheel/releases/download/3.1.1.post8/openbabel-3.1.1-cp310-cp310-manylinux_2_28_x86_64.whl
pip3 install https://github.com/lmdu/openmm-wheel/releases/download/8.0.0.post1/OpenMM-8.0.0-cp310-cp310-manylinux_2_28_x86_64.whl
pip3 install https://github.com/openmm/pdbfixer/archive/refs/tags/1.9.tar.gz
- name: Build executable
run: pyinstaller package/build.spec
- name: Package installer
run: |
version=`awk '/^DOCKEY_VERSION/{print $NF}' src/config.py | sed 's/\"//g'`
cd dist
chmod a+x ../package/build_linux_desktop.sh
../package/build_linux_desktop.sh $version
- uses: actions/upload-artifact@v3
with:
name: Dockey-ubuntu20.04
path: |
dist/*.deb
dist/*.tar.gz
dist/*.AppImage
- uses: softprops/action-gh-release@v1
if: startsWith(github.ref, 'refs/tags/')
with:
files: |
dist/*.deb
dist/*.tar.gz
dist/*.AppImage
build_modern:
name: Build on Ubuntu22.04
runs-on: ubuntu-22.04
steps:
- uses: actions/checkout@v3
- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10.x'
- name: Install gcc12
run: |
sudo apt install g++-12 gcc-12 -y
sudo update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-12 12
sudo update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-12 12
- name: Install Linux requirements
run: |
sudo rm /var/cache/debconf/config.dat
sudo dpkg --configure -a
sudo add-apt-repository ppa:ubuntu-toolchain-r/test -y
sudo apt update
sudo apt upgrade
sudo apt install -y build-essential checkinstall libegl-dev zlib1g-dev libssl-dev ninja-build autoconf libx11-dev libx11-xcb-dev libfontenc-dev libice-dev libsm-dev libxau-dev libxaw7-dev libxcomposite-dev libxcursor-dev libxdamage-dev libxdmcp-dev libxext-dev libxfixes-dev libxi-dev libxinerama-dev libxkbfile-dev libxmu-dev libxmuu-dev libxpm-dev libxrandr-dev libxrender-dev libxres-dev libxss-dev libxt-dev libxtst-dev libxv-dev libxvmc-dev libxxf86vm-dev xtrans-dev libxcb-render0-dev libxcb-render-util0-dev libxcb-xkb-dev libxcb-icccm4-dev libxcb-image0-dev libxcb-keysyms1-dev libxcb-randr0-dev libxcb-shape0-dev libxcb-sync-dev libxcb-xfixes0-dev libxcb-xinerama0-dev xkb-data libxcb-dri3-dev uuid-dev libxcb-util-dev libxkbcommon-x11-dev pkg-config
- name: Install build requirements
run: |
pip3 install -r requirements.txt
pip3 install plip==2.2.2 --no-deps
python3 package/slim_meeko.py
pip3 install git+https://github.com/lmdu/AutoDockTools_py3
pip3 install https://github.com/lmdu/pymol-wheel/releases/download/2.6.0.post4/pymol-2.6.0a0-cp310-cp310-manylinux_2_28_x86_64.whl
pip3 install https://github.com/lmdu/openbabel-wheel/releases/download/3.1.1.post8/openbabel-3.1.1-cp310-cp310-manylinux_2_28_x86_64.whl
pip3 install https://github.com/lmdu/openmm-wheel/releases/download/8.0.0.post1/OpenMM-8.0.0-cp310-cp310-manylinux_2_28_x86_64.whl
pip3 install https://github.com/openmm/pdbfixer/archive/refs/tags/1.9.tar.gz
- name: Build executable
run: pyinstaller package/build.spec
- name: Package installer
run: |
version=`awk '/^DOCKEY_VERSION/{print $NF}' src/config.py | sed 's/\"//g'`
cd dist
chmod a+x ../package/build_linux_desktop.sh
../package/build_linux_desktop.sh $version
- uses: actions/upload-artifact@v3
with:
name: Dockey-ubuntu22.04
path: |
dist/*.deb
dist/*.tar.gz
dist/*.AppImage
- uses: softprops/action-gh-release@v1
if: startsWith(github.ref, 'refs/tags/')
with:
files: |
dist/*.deb
dist/*.tar.gz
dist/*.AppImage
build_mac:
name: Build on MacOS
runs-on: macos-11
steps:
- uses: actions/checkout@v3
- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10.x'
- name: Install requirements
run: |
pip3 install -r requirements.txt
pip3 install plip==2.2.2 --no-deps
python3 package/slim_meeko.py
pip3 install git+https://github.com/lmdu/AutoDockTools_py3
pip3 install https://github.com/lmdu/pymol-wheel/releases/download/2.6.0.post4/pymol-2.6.0a0-cp310-cp310-macosx_10_9_x86_64.whl
pip3 install https://github.com/lmdu/openbabel-wheel/releases/download/3.1.1.post8/openbabel-3.1.1-cp310-cp310-macosx_11_0_x86_64.whl
pip3 install https://github.com/lmdu/openmm-wheel/releases/download/8.0.0.post1/OpenMM-8.0.0-cp310-cp310-macosx_10_9_x86_64.whl
pip3 install https://github.com/openmm/pdbfixer/archive/refs/tags/1.9.tar.gz
- name: Build executable
run: pyinstaller package/build.spec
- name: Package
run: |
version=`awk '/^DOCKEY_VERSION/{print $NF}' src/config.py | sed 's/\"//g'`
npm install --global create-dmg
cd dist
create-dmg Dockey.app || true
mv "Dockey 0.0.0.dmg" Dockey-v${version}-macos.dmg
- uses: actions/upload-artifact@v3
with:
name: Dockey-macos
path: dist/*.dmg
- uses: softprops/action-gh-release@v1
if: startsWith(github.ref, 'refs/tags/')
with:
files: dist/*.dmg