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Development #26

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merged 210 commits into from
May 3, 2022
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8ec8a0f
Initializing nbdev
swillems Sep 24, 2021
a1cda4f
nbdev+constants
jalew188 Sep 30, 2021
b1d390a
element docstrings
jalew188 Oct 1, 2021
02ebdf8
constants docstrings
jalew188 Oct 1, 2021
ce3bc13
fragment nbs
jalew188 Oct 2, 2021
777bc8b
Merge pull request #1 from MannLabs/peptide
jalew188 Oct 2, 2021
d92ee1b
add H2O/NH3 loss and c/z ions
jalew188 Oct 2, 2021
12f8b24
Merge branch 'development' into const
jalew188 Oct 2, 2021
cf3ba89
requirement yaml-->pyyaml
jalew188 Oct 2, 2021
99b5e72
Merge from development branch
jalew188 Oct 2, 2021
cf7dbf6
remove unnecessary nbdev nbs
jalew188 Oct 2, 2021
0417c26
requrement[dev] yaml-->pyyaml
jalew188 Oct 2, 2021
097e786
FIX get_fragment_mass_dataframe bug
jalew188 Oct 3, 2021
9580178
FATAL BUG FIX init fragment by precursor
jalew188 Oct 4, 2021
a2869bd
MOD_DF to select different types of modifications
jalew188 Oct 8, 2021
a078974
Merge pull request #2 from MannLabs/const
jalew188 Oct 12, 2021
1ae0682
base spectral library class
jalew188 Oct 12, 2021
f7e4598
add library example
jalew188 Oct 12, 2021
83f388a
clip precursor after calc frag mass
jalew188 Oct 12, 2021
4fd0e48
FIX load_fragment_mass_df()
jalew188 Oct 12, 2021
7d74269
to_single_df: loc->iloc
jalew188 Oct 12, 2021
c6e9901
FIX to_single_df:miss PrecursorMz
jalew188 Oct 12, 2021
5fb7f78
FIX to_single_csv: missing CCS
jalew188 Oct 12, 2021
63bb99c
TYPO to_single_df(): FragmengMz -> FragmentMz
jalew188 Oct 12, 2021
f842bc3
refine library_base
jalew188 Oct 12, 2021
f426406
move translate nb to alphadeep
jalew188 Oct 14, 2021
52cddb5
flatten method
jalew188 Oct 14, 2021
ee8ce8e
typos in docstrings
jalew188 Oct 14, 2021
dabafbf
mod nb check classification
jalew188 Oct 19, 2021
0301d95
FEAT: dummy notebook for hdf handling
swillems Oct 21, 2021
8a71fc9
FIX: nbdev compatability
swillems Oct 21, 2021
75cf7e2
CHORE: cleanup of HDF. Reduction of hdf nbs in favor of pure python code
swillems Oct 21, 2021
5c26ec5
CHORE: hdf nbs cleanup
swillems Oct 21, 2021
e061a26
FEAT: allow setting of a HDF slice for dataframes and datasets
swillems Oct 23, 2021
599b323
set_precursor_mz
jalew188 Oct 25, 2021
028190c
FIX: components of HDF file now read properly
swillems Oct 26, 2021
3266739
from origin/io branch
jalew188 Oct 26, 2021
81caaa7
Merge remote-tracking branch 'origin/io' into library
jalew188 Oct 26, 2021
634bc0f
TEST: more tests for hdf
swillems Oct 26, 2021
4d3473c
fixed hdf bug from origin/io
jalew188 Oct 26, 2021
9b3746c
typos
jalew188 Oct 26, 2021
435e169
decoy library
jalew188 Oct 26, 2021
9142b42
remove self._hdf when save/load hdf
jalew188 Oct 26, 2021
b90c0dc
decoy library
jalew188 Oct 26, 2021
e54eb45
calc masses for var len seqs
jalew188 Oct 26, 2021
cfb632f
minor updates
jalew188 Oct 26, 2021
099a072
CHORE: review updates
swillems Oct 27, 2021
79848f0
NIST elements and re-define AAs
jalew188 Oct 28, 2021
56957ec
13C... masses also from NIST
jalew188 Oct 28, 2021
a0d7e61
save_hdf: save library into 'library' group
jalew188 Oct 28, 2021
c73f7be
comment for AA=OU
jalew188 Oct 28, 2021
3477ded
placehoder C(0) to C(10000)
jalew188 Oct 28, 2021
c227707
Merge pull request #5 from MannLabs/NIST_atom
jalew188 Oct 28, 2021
3ec0b79
Merge pull request #4 from MannLabs/io
jalew188 Oct 28, 2021
833bfbb
Merge branch 'development' into library
jalew188 Oct 28, 2021
cfb9907
Merge pull request #3 from MannLabs/library
jalew188 Oct 28, 2021
9e04758
quick fix for save_hdf codes
jalew188 Oct 28, 2021
c777b61
Merge pull request #6 from MannLabs/lib_hdf_fix
jalew188 Oct 28, 2021
a4c28ac
FIX: HDF files can now be added to in parallel.
swillems Nov 8, 2021
a02e3da
Merge branch 'development' of https://github.com/MannLabs/alphabase i…
swillems Nov 8, 2021
8288dcf
considered mass shifts as modifications
jalew188 Nov 10, 2021
42d8da2
fix some func/var names
jalew188 Nov 10, 2021
b8b4955
FIX: append to hdf file
swillems Nov 12, 2021
79a7cdf
FEAT: add functions to quickly loop over components of an io.HDF group
swillems Nov 12, 2021
40810f1
FIX: direct retrieval of groups, datasets and dataframes from an HDF …
swillems Nov 16, 2021
1a3c8f9
use new var names
jalew188 Nov 16, 2021
bc7eb56
rename vars
jalew188 Nov 22, 2021
ec7b916
check nAA; invalid aa mass=1e8
jalew188 Nov 23, 2021
f47ba11
rename vars
jalew188 Nov 24, 2021
b513861
rename load->calc fragment_mz_df
jalew188 Nov 24, 2021
7d9a52c
rename library vars
jalew188 Nov 26, 2021
0af31eb
[FIX] y_modloss mass but
jalew188 Nov 26, 2021
dba8284
psm readers from alphadeep to alphabase
jalew188 Nov 26, 2021
18b003a
add more documentation
jalew188 Nov 30, 2021
17f6652
Merge branch 'mass_shift_modifications' into psm_reader
jalew188 Dec 1, 2021
2e22e71
fixed frag_df column bug
jalew188 Dec 4, 2021
9fc6817
norm rt by raw
jalew188 Dec 4, 2021
3144aa5
Merge branch 'psm_reader' of https://github.com/MannLabs/alphabase in…
jalew188 Dec 4, 2021
746e59d
calc frag mz df in batch for large df
jalew188 Dec 13, 2021
ca0d79b
common yaml
jalew188 Dec 13, 2021
27f8179
calc_mass_from_formula
jalew188 Dec 13, 2021
0a524f7
unitest in aa/elem/mod nbs
jalew188 Dec 13, 2021
b286de6
Merge pull request #9 from MannLabs/rename_variable
jalew188 Dec 13, 2021
51cb046
docs and tests
jalew188 Dec 14, 2021
245a526
add all docs and tests
jalew188 Dec 14, 2021
4e2eb82
more docs in fragment.py
jalew188 Dec 14, 2021
e2ee23b
Merge pull request #10 from MannLabs/doc_and_test
jalew188 Dec 14, 2021
e8ee479
update_precursor_mz
jalew188 Dec 14, 2021
1a03ba6
remove non-sense codes (e.g. timeit)
jalew188 Dec 14, 2021
ee7ea51
add dtype for fragment df
jalew188 Dec 15, 2021
6751c7a
Merge branch 'development' into psm_reader
zhouxiexuan Dec 18, 2021
ac727fd
QUICK FIX: calc_in_order
jalew188 Dec 20, 2021
3926d39
refine psm_reader from alphadeep
zhouxiexuan Dec 20, 2021
67ceb26
yaml for reader
zhouxiexuan Dec 20, 2021
dfbdae8
yaml
zhouxiexuan Dec 20, 2021
1956067
Merge branch 'development' into psm_reader
jalew188 Dec 20, 2021
c0aa2b9
psm_reader.load()->import_file()
jalew188 Dec 20, 2021
5d7e7a5
alphapept unittests
jalew188 Dec 20, 2021
46ac7a1
FIX:second_search when fdr>0.1:
jalew188 Dec 20, 2021
f3549fa
set_modification_mapping for psm_readers
jalew188 Dec 21, 2021
7fa5780
tutorial nbs
jalew188 Dec 22, 2021
72f3c89
no cli gui|
jalew188 Dec 22, 2021
fa6cd72
no cli gui
jalew188 Dec 22, 2021
69475a9
reader all-in yaml
jalew188 Dec 23, 2021
f82a978
QuickFIX: is_precorsor_sorted
jalew188 Dec 23, 2021
fe43f96
refine create_fragment_mz_df
jalew188 Dec 24, 2021
8b4e3ce
refine fragment.py
jalew188 Dec 24, 2021
b7bffe1
refine df
jalew188 Dec 24, 2021
5615e7c
library hdf OPs
jalew188 Dec 24, 2021
1e31b01
refine io hdf and readers
jalew188 Dec 25, 2021
8440d99
yaml: '\t'->t
jalew188 Dec 25, 2021
400099d
concat df change df inplace, use copy instead
jalew188 Dec 28, 2021
695be00
is_precursor_refined=sorted
jalew188 Dec 30, 2021
a3ddc5a
norm rt by raw
jalew188 Dec 30, 2021
51578d0
psm_reader.import_file return psm_df
jalew188 Jan 3, 2022
fc93136
translate decoy and score
jalew188 Jan 3, 2022
de1add1
missing import np
jalew188 Jan 3, 2022
4059a33
quickfix: C-term site=-1
jalew188 Jan 4, 2022
5997047
fixed pfind Any C-termX=-1
jalew188 Jan 4, 2022
9f5cb59
pfind AnyC-termX=-1
jalew188 Jan 4, 2022
9da0e16
refine precursor.py
jalew188 Jan 4, 2022
a3ebb25
refine readers
jalew188 Jan 10, 2022
c517ce1
msfragger_reader
jalew188 Jan 11, 2022
60af971
refine reader apis)
jalew188 Jan 13, 2022
1c68d64
nbdev_build_lib
swillems Jan 13, 2022
6380430
Merge pull request #11 from MannLabs/psm_reader
jalew188 Jan 14, 2022
2f79df8
Merge branch 'development' of https://github.com/MannLabs/alphabase i…
swillems Jan 14, 2022
128a95f
append decoy to target
jalew188 Jan 22, 2022
b657b6a
refine_precursor_df: ensure_data_validity
jalew188 Jan 22, 2022
c9742d3
FIX: save_hdf bug
jalew188 Jan 23, 2022
e23fd8d
translate pfind proteins
jalew188 Jan 23, 2022
3fb7209
Sander's mod_seq_hash idea
jalew188 Jan 24, 2022
b1d166b
Merge branch 'development' of https://github.com/MannLabs/alphabase i…
swillems Jan 24, 2022
8f83077
mmh3 hash
jalew188 Jan 24, 2022
4b40a22
Merge branch 'development' of https://github.com/MannLabs/alphabase i…
swillems Jan 25, 2022
8cb3731
peptide hash by mmh3 package
jalew188 Jan 29, 2022
8aedb47
update mobility<->CCS convertion
jalew188 Jan 30, 2022
623dafd
pass msfragger reader when no pyteomics
jalew188 Jan 30, 2022
081b4d2
Merge pull request #13 from MannLabs/hash
jalew188 Jan 31, 2022
2322c3c
Merge branch 'development' of https://github.com/MannLabs/alphabase i…
swillems Jan 31, 2022
a0ecaba
FEAT: mmap option for io.hdf datasets
swillems Jan 31, 2022
729c3a9
FEAT: mmap is now safeguarded for read-only files
swillems Feb 1, 2022
76628a0
FIX: df immutable for read only
swillems Feb 1, 2022
3d5fbfe
[FIX] for ccs_to_mobility_df
jalew188 Feb 9, 2022
b54851a
1/K0 in MQ
jalew188 Feb 9, 2022
f9045b4
pip prepare
jalew188 Feb 10, 2022
fff12b9
PYPI_API_TOKEN->PYPI_ALPHABASE_API_TOKEN
jalew188 Feb 10, 2022
55e027f
github workflow
jalew188 Feb 10, 2022
f35477b
Bump version: 0.0.1 → 0.0.2
jalew188 Feb 10, 2022
c43c879
Bump version: 0.0.2 → 0.0.3
jalew188 Feb 10, 2022
61360ed
tutorial except for psm readers
jalew188 Feb 10, 2022
65b5817
tutorial update
jalew188 Feb 11, 2022
62eec40
quick fix for MQ pS-like phospho pept
jalew188 Feb 11, 2022
6a08507
bumpversion.cfg->root
jalew188 Feb 11, 2022
c542bfc
bumpversion.cfg without space
jalew188 Feb 11, 2022
be5a3b5
Bump version: 0.0.3 → 0.0.4
jalew188 Feb 11, 2022
5bb9b95
Merge pull request #16 from MannLabs/MQ_phos_fix
jalew188 Feb 11, 2022
97f6c86
from development
jalew188 Feb 11, 2022
6b473f5
tutorial_user
jalew188 Feb 11, 2022
394a8da
refine rt_norm in dia search
jalew188 Feb 16, 2022
5a32611
inplace_in_reference
jalew188 Feb 16, 2022
ee2c635
Merge pull request #14 from MannLabs/mmap_io
jalew188 Feb 18, 2022
1086051
[FATAL] precursor sorted multi times
jalew188 Feb 20, 2022
4e749f1
[FATAL] df sorted multi times
jalew188 Feb 20, 2022
f019d13
Merge branch 'development' of https://github.com/MannLabs/alphabase i…
jalew188 Feb 20, 2022
aa11a3a
mask_fragment: charge>precursor_charge
jalew188 Feb 20, 2022
fd0c4c1
mask frag charge = [2,3]
jalew188 Feb 20, 2022
5daef4a
quick update
jalew188 Feb 20, 2022
03d60fd
test new aa
jalew188 Feb 20, 2022
17bbf65
add isotope information into precursor_df
jalew188 Feb 21, 2022
ead6105
test multiprocessing for calc isotope
jalew188 Feb 21, 2022
b7ddfe9
multiprocessing process_bar callback
jalew188 Feb 21, 2022
f25eada
docs for calc_precursor_isotope_mp
jalew188 Feb 21, 2022
3778848
merge development with hdf mmap
jalew188 Feb 21, 2022
e856a9c
Bump version: 0.0.4 → 0.0.5
jalew188 Feb 21, 2022
4c050e9
docs for PSMReaderBase
jalew188 Feb 23, 2022
6c00665
faster isotope calculation
jalew188 Feb 23, 2022
7900a5f
ignore slow 'formula_dist()'
jalew188 Feb 23, 2022
1f038d0
little faster isotope
jalew188 Feb 23, 2022
d5f5aea
docs in constants
jalew188 Feb 23, 2022
4b4a72a
Merge pull request #18 from MannLabs/add_docs
jalew188 Feb 24, 2022
0699552
docs for constants sub-module
jalew188 Feb 24, 2022
b881b42
setting fragment_df using .values instead of .loc
jalew188 Feb 25, 2022
8d9567a
finish docs
jalew188 Feb 25, 2022
fe2df9e
Merge pull request #19 from MannLabs/isotope
jalew188 Feb 28, 2022
d06cd0d
docs done for main functions/classes
jalew188 Feb 28, 2022
0997550
update hdf docs
jalew188 Feb 28, 2022
0a05dcd
FIX MQ pS/pT reader bug
jalew188 Mar 2, 2022
a6b8071
FIX spec_idx starts from 0
jalew188 Mar 3, 2022
0705223
FIX psm_reader: spec_idx from 0; add scan_num column
jalew188 Mar 4, 2022
4e75129
swath reader
jalew188 Mar 4, 2022
839ac95
Merge branch 'fix_spec_idx' into pep_docs
jalew188 Mar 4, 2022
dd67983
FEAT: temp mmapped arrays to save RAM
swillems Mar 4, 2022
a2e01cb
FIX: typo in path
swillems Mar 4, 2022
9c0d8e5
Merge pull request #22 from MannLabs/mmap_arrays
jalew188 Mar 6, 2022
bd92879
Merge pull request #23 from MannLabs/fix_spec_idx
jalew188 Mar 7, 2022
397d46e
Merge pull request #20 from MannLabs/pep_docs
jalew188 Mar 7, 2022
355ab44
Merge branch 'pep_docs' of https://github.com/MannLabs/alphabase into…
jalew188 Mar 7, 2022
a1c290e
spec_idx
jalew188 Mar 7, 2022
28de3b0
Merge branch 'pep_docs' into development
jalew188 Mar 7, 2022
44a753b
refine library base
jalew188 Mar 14, 2022
40c530b
quick FIX
jalew188 Mar 18, 2022
366bf82
GG@K=GlyGly@K
jalew188 Apr 3, 2022
7d29331
GlyGly=121
jalew188 Apr 6, 2022
11436e9
Add none decoy lib
jalew188 Apr 7, 2022
f9b6a9a
check decoy name
jalew188 Apr 7, 2022
79d0878
apex isotope in hdf
jalew188 Apr 7, 2022
0e031bb
Merge pull request #24 from MannLabs/nb_docs
jalew188 Apr 7, 2022
5629113
diann CScore
jalew188 Apr 26, 2022
28e4c98
Merge pull request #25 from MannLabs/nb_docs
jalew188 May 3, 2022
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32 changes: 32 additions & 0 deletions .bumpversion.cfg
Original file line number Diff line number Diff line change
@@ -0,0 +1,32 @@
[bumpversion]
current_version = 0.0.5
commit = True
tag = False
parse = (?P<major>\d+)\.(?P<minor>\d+)\.(?P<patch>\d+)(\-(?P<release>[a-z]+)(?P<build>\d+))?
serialize =
{major}.{minor}.{patch}
{major}.{minor}.{patch}

[bumpversion:part:release]

[bumpversion:part:build]

[bumpversion:file:./alphabase/__init__.py]

[bumpversion:file:./settings.ini]

[bumpversion:file:./release/one_click_linux_gui/control]

[bumpversion:file:./release/one_click_linux_gui/create_installer_linux.sh]

[bumpversion:file:./release/one_click_macos_gui/distribution.xml]

[bumpversion:file:./release/one_click_macos_gui/Info.plist]

[bumpversion:file:./release/one_click_macos_gui/create_installer_macos.sh]

[bumpversion:file:./release/one_click_windows_gui/create_installer_windows.sh]

[bumpversion:file:./release/one_click_windows_gui/alphabase_innoinstaller.iss]
search = {current_version}
replace = {new_version}
13 changes: 13 additions & 0 deletions .devcontainer.json
Original file line number Diff line number Diff line change
@@ -0,0 +1,13 @@
{
"name": "nbdev_template-codespaces",
"dockerComposeFile": "docker-compose.yml",
"service": "watcher",
"settings": {"terminal.integrated.shell.linux": "/bin/bash"},
"mounts": [ "source=/var/run/docker.sock,target=/var/run/docker.sock,type=bind" ],
"forwardPorts": [4000, 8080],
"appPort": [4000, 8080],
"extensions": ["ms-python.python",
"ms-azuretools.vscode-docker"],
"runServices": ["notebook", "jekyll", "watcher"],
"postStartCommand": "pip install -e ."
}
2 changes: 2 additions & 0 deletions .gitattributes
Original file line number Diff line number Diff line change
@@ -0,0 +1,2 @@
**/*.ipynb filter=clean-nbs
**/*.ipynb diff=ipynb
16 changes: 16 additions & 0 deletions .gitconfig
Original file line number Diff line number Diff line change
@@ -0,0 +1,16 @@
# Generated by nbdev_install_git_hooks
#
# If you need to disable this instrumentation do:
# git config --local --unset include.path
#
# To restore the filter
# git config --local include.path .gitconfig
#
# If you see notebooks not stripped, checked the filters are applied in .gitattributes
#
[filter "clean-nbs"]
clean = nbdev_clean_nbs --read_input_stream True
smudge = cat
required = true
[diff "ipynb"]
textconv = nbdev_clean_nbs --disp True --fname
238 changes: 120 additions & 118 deletions .github/workflows/publish_and_release.yml
Original file line number Diff line number Diff line change
Expand Up @@ -25,124 +25,126 @@ jobs:
cd misc
. ./check_version.sh
echo ::set-output name=version::$current_version
Create_Draft_On_GitHub:
runs-on: ubuntu-latest
needs: Version_Bumped
outputs:
upload_url: ${{ steps.draft_release.outputs.upload_url }}
steps:
- name: Draft Release
id: draft_release
uses: actions/create-release@v1
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} # This token is provided by Actions, you do not need to create your own token
with:
tag_name: ${{ needs.Version_Bumped.outputs.version }}
release_name: Release version ${{ needs.Version_Bumped.outputs.version }}
draft: false
prerelease: false
Create_Linux_Release:
runs-on: ubuntu-latest
needs: Create_Draft_On_GitHub
steps:
- name: Checkout code
uses: actions/checkout@v2
- uses: conda-incubator/setup-miniconda@v2
with:
auto-update-conda: true
python-version: ${{ matrix.python-version }}
- name: Conda info
shell: bash -l {0}
run: conda info
- name: Creating installer for Linux
shell: bash -l {0}
run: |
cd release/one_click_linux_gui
. ./create_installer_linux.sh
- name: Test installer for Linux
shell: bash -l {0}
run: |
sudo dpkg -i release/one_click_linux_gui/dist/AlphaBase_gui_installer_linux.deb
- name: Upload Linux Installer
id: upload-release-asset
uses: actions/upload-release-asset@v1
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
with:
upload_url: ${{ needs.Create_Draft_On_GitHub.outputs.upload_url }}
asset_path: release/one_click_linux_gui/dist/AlphaBase_gui_installer_linux.deb
asset_name: AlphaBase_gui_installer_linux.deb
asset_content_type: application/octet-stream
Create_MacOS_Release:
runs-on: macos-latest
needs: Create_Draft_On_GitHub
steps:
- name: Checkout code
uses: actions/checkout@v2
- uses: conda-incubator/setup-miniconda@v2
with:
auto-update-conda: true
python-version: ${{ matrix.python-version }}
- name: Conda info
shell: bash -l {0}
run: conda info
- name: Creating installer for MacOS
shell: bash -l {0}
run: |
cd release/one_click_macos_gui
. ./create_installer_macos.sh
- name: Test installer for MacOS
shell: bash -l {0}
run: |
sudo installer -pkg release/one_click_macos_gui/dist/AlphaBase_gui_installer_macos.pkg -target /
- name: Upload MacOS Installer
id: upload-release-asset
uses: actions/upload-release-asset@v1
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
with:
upload_url: ${{ needs.Create_Draft_On_GitHub.outputs.upload_url }}
asset_path: release/one_click_macos_gui/dist/AlphaBase_gui_installer_macos.pkg
asset_name: AlphaBase_gui_installer_macos.pkg
asset_content_type: application/octet-stream
Create_Windows_Release:
runs-on: windows-latest
needs: Create_Draft_On_GitHub
steps:
- name: Checkout code
uses: actions/checkout@v2
- uses: conda-incubator/setup-miniconda@v2
with:
auto-update-conda: true
python-version: ${{ matrix.python-version }}
- name: Conda info
shell: bash -l {0}
run: conda info
- name: Creating installer for Windows
shell: bash -l {0}
run: |
cd release/one_click_windows_gui
. ./create_installer_windows.sh
- name: Test installer for Windows
shell: bash -l {0}
run: |
cd release/one_click_windows_gui/dist/
echo "TODO, this test seems to freeze the runner..."
# ./AlphaBase_gui_installer_windows.exe //verysilent //log=log.txt //noicons //tasks= //portable=1
# cat log.txt
- name: Upload Windows Installer
id: upload-release-asset
uses: actions/upload-release-asset@v1
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
with:
upload_url: ${{ needs.Create_Draft_On_GitHub.outputs.upload_url }}
asset_path: release/one_click_windows_gui/dist/AlphaBase_gui_installer_windows.exe
asset_name: AlphaBase_gui_installer_windows.exe
asset_content_type: application/octet-stream
# Create_Draft_On_GitHub:
# runs-on: ubuntu-latest
# needs: Version_Bumped
# outputs:
# upload_url: ${{ steps.draft_release.outputs.upload_url }}
# steps:
# - name: Draft Release
# id: draft_release
# uses: actions/create-release@v1
# env:
# GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} # This token is provided by Actions, you do not need to create your own token
# with:
# tag_name: ${{ needs.Version_Bumped.outputs.version }}
# release_name: Release version ${{ needs.Version_Bumped.outputs.version }}
# draft: false
# prerelease: false


# Create_Linux_Release:
# runs-on: ubuntu-latest
# needs: Create_Draft_On_GitHub
# steps:
# - name: Checkout code
# uses: actions/checkout@v2
# - uses: conda-incubator/setup-miniconda@v2
# with:
# auto-update-conda: true
# python-version: ${{ matrix.python-version }}
# - name: Conda info
# shell: bash -l {0}
# run: conda info
# - name: Creating installer for Linux
# shell: bash -l {0}
# run: |
# cd release/one_click_linux_gui
# . ./create_installer_linux.sh
# - name: Test installer for Linux
# shell: bash -l {0}
# run: |
# sudo dpkg -i release/one_click_linux_gui/dist/AlphaBase_gui_installer_linux.deb
# - name: Upload Linux Installer
# id: upload-release-asset
# uses: actions/upload-release-asset@v1
# env:
# GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
# with:
# upload_url: ${{ needs.Create_Draft_On_GitHub.outputs.upload_url }}
# asset_path: release/one_click_linux_gui/dist/AlphaBase_gui_installer_linux.deb
# asset_name: AlphaBase_gui_installer_linux.deb
# asset_content_type: application/octet-stream
# Create_MacOS_Release:
# runs-on: macos-latest
# needs: Create_Draft_On_GitHub
# steps:
# - name: Checkout code
# uses: actions/checkout@v2
# - uses: conda-incubator/setup-miniconda@v2
# with:
# auto-update-conda: true
# python-version: ${{ matrix.python-version }}
# - name: Conda info
# shell: bash -l {0}
# run: conda info
# - name: Creating installer for MacOS
# shell: bash -l {0}
# run: |
# cd release/one_click_macos_gui
# . ./create_installer_macos.sh
# - name: Test installer for MacOS
# shell: bash -l {0}
# run: |
# sudo installer -pkg release/one_click_macos_gui/dist/AlphaBase_gui_installer_macos.pkg -target /
# - name: Upload MacOS Installer
# id: upload-release-asset
# uses: actions/upload-release-asset@v1
# env:
# GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
# with:
# upload_url: ${{ needs.Create_Draft_On_GitHub.outputs.upload_url }}
# asset_path: release/one_click_macos_gui/dist/AlphaBase_gui_installer_macos.pkg
# asset_name: AlphaBase_gui_installer_macos.pkg
# asset_content_type: application/octet-stream
# Create_Windows_Release:
# runs-on: windows-latest
# needs: Create_Draft_On_GitHub
# steps:
# - name: Checkout code
# uses: actions/checkout@v2
# - uses: conda-incubator/setup-miniconda@v2
# with:
# auto-update-conda: true
# python-version: ${{ matrix.python-version }}
# - name: Conda info
# shell: bash -l {0}
# run: conda info
# - name: Creating installer for Windows
# shell: bash -l {0}
# run: |
# cd release/one_click_windows_gui
# . ./create_installer_windows.sh
# - name: Test installer for Windows
# shell: bash -l {0}
# run: |
# cd release/one_click_windows_gui/dist/
# echo "TODO, this test seems to freeze the runner..."
# # ./AlphaBase_gui_installer_windows.exe //verysilent //log=log.txt //noicons //tasks= //portable=1
# # cat log.txt
# - name: Upload Windows Installer
# id: upload-release-asset
# uses: actions/upload-release-asset@v1
# env:
# GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
# with:
# upload_url: ${{ needs.Create_Draft_On_GitHub.outputs.upload_url }}
# asset_path: release/one_click_windows_gui/dist/AlphaBase_gui_installer_windows.exe
# asset_name: AlphaBase_gui_installer_windows.exe
# asset_content_type: application/octet-stream
Create_PyPi_Release:
runs-on: ubuntu-latest
needs: [Create_Linux_Release, Create_MacOs_Release, Create_Windows_Release]
needs: Version_Bumped
steps:
- name: Checkout code
uses: actions/checkout@v2
Expand All @@ -161,7 +163,7 @@ jobs:
- name: Publish distribution to Test PyPI
uses: pypa/gh-action-pypi-publish@master
with:
password: ${{ secrets.TEST_PYPI_API_TOKEN }}
password: ${{ secrets.TEST_PYPI_ALPHABASE_API_TOKEN }}
repository_url: https://test.pypi.org/legacy/
- name: Test PyPI test release
shell: bash -l {0}
Expand All @@ -171,7 +173,7 @@ jobs:
- name: Publish distribution to PyPI
uses: pypa/gh-action-pypi-publish@master
with:
password: ${{ secrets.PYPI_API_TOKEN }}
password: ${{ secrets.PYPI_ALPHABASE_API_TOKEN }}
Test_PyPi_Release:
name: Test_PyPi_version_on_${{ matrix.os }}
runs-on: ${{ matrix.os }}
Expand Down
3 changes: 3 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -132,3 +132,6 @@ dmypy.json
alphabase/logs
*.DS_Store
*sandbox*

# vscode temp file
**/.last_checked
33 changes: 33 additions & 0 deletions CONTRIBUTING.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,33 @@
# How to contribute

## How to get started

Before anything else, please install the git hooks that run automatic scripts during each commit and merge to strip the notebooks of superfluous metadata (and avoid merge conflicts). After cloning the repository, run the following command inside it:
```
nbdev_install_git_hooks
```

## Did you find a bug?

* Ensure the bug was not already reported by searching on GitHub under Issues.
* If you're unable to find an open issue addressing the problem, open a new one. Be sure to include a title and clear description, as much relevant information as possible, and a code sample or an executable test case demonstrating the expected behavior that is not occurring.
* Be sure to add the complete error messages.

#### Did you write a patch that fixes a bug?

* Open a new GitHub pull request with the patch.
* Ensure that your PR includes a test that fails without your patch, and pass with it.
* Ensure the PR description clearly describes the problem and solution. Include the relevant issue number if applicable.

## PR submission guidelines

* Keep each PR focused. While it's more convenient, do not combine several unrelated fixes together. Create as many branches as needing to keep each PR focused.
* Do not mix style changes/fixes with "functional" changes. It's very difficult to review such PRs and it most likely get rejected.
* Do not add/remove vertical whitespace. Preserve the original style of the file you edit as much as you can.
* Do not turn an already submitted PR into your development playground. If after you submitted PR, you discovered that more work is needed - close the PR, do the required work and then submit a new PR. Otherwise each of your commits requires attention from maintainers of the project.
* If, however, you submitted a PR and received a request for changes, you should proceed with commits inside that PR, so that the maintainer can see the incremental fixes and won't need to review the whole PR again. In the exception case where you realize it'll take many many commits to complete the requests, then it's probably best to close the PR, do the work and then submit it again. Use common sense where you'd choose one way over another.

## Do you want to contribute to the documentation?

* Docs are automatically created from the notebooks in the nbs folder.

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