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moving project meta and packages search to pyproject.toml
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ye11owSub authored and pp-amaskaev committed Jun 5, 2024
1 parent bb72e14 commit c678ceb
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39 changes: 7 additions & 32 deletions .github/workflows/build.yml
Original file line number Diff line number Diff line change
Expand Up @@ -13,37 +13,12 @@ jobs:
- name: Install system dependencies
run: >
sudo apt-get update;
sudo apt-get --no-install-recommends install
catch2
cmake
libfreetype6-dev
libglew-dev
libglm-dev
libmsgpack-dev
libnetcdf-dev
libpng-dev
libxml2-dev
python-is-python3
python3-biopython
python3-dev
python3-setuptools
python3-numpy
python3-pil
python3-pytest
- name: Install collada2gltf
run: |
wget -nv https://anaconda.org/schrodinger/collada2gltf/2.1.4/download/linux-64/collada2gltf-2.1.4-h6bb024c_0.tar.bz2
sudo tar xf collada2gltf-*.tar.bz2 -C / bin/collada2gltf
- name: Get additional sources
run: |
git clone --depth 1 https://github.com/rcsb/mmtf-cpp.git
cp -R mmtf-cpp/include/mmtf* include/
sudo apt-get --no-install-recommends install python3-dev python3-pytest
- name: Build
run: |
python setup.py --testing install --prefix=install-prefix
python -m pip install --upgrade pip;
pip install . -Csetup-args=-Dtesting=true --prefix=install-prefix
env:
DEBUG: 1

Expand Down Expand Up @@ -72,7 +47,7 @@ jobs:
shell: cmd
run: |-
CALL %CONDA_ROOT%\\Scripts\\activate.bat
conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyqt glew libxml2 numpy catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest
conda install -y -c conda-forge -c python glew pytest
- name: Conda info
shell: cmd
Expand All @@ -92,7 +67,7 @@ jobs:
shell: cmd
run: |
CALL %CONDA_ROOT%\\Scripts\\activate.bat
python setup.py --testing install --prefix=%GITHUB_WORKSPACE%\\install-prefix
pip install . -Csetup-args=-Dtesting=true --prefix=%GITHUB_WORKSPACE%\\install-prefix
- name: Test
shell: cmd
Expand All @@ -115,7 +90,7 @@ jobs:
bash $CONDA_ROOT.sh -b -p $CONDA_ROOT
export PATH="$CONDA_ROOT/bin:$PATH"
conda config --set quiet yes
conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyqt glew libxml2 numpy catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest
conda install -y -c conda-forge -c python pytest
conda info
- name: Get additional sources
Expand All @@ -129,7 +104,7 @@ jobs:
run: |-
export MACOSX_DEPLOYMENT_TARGET=12.0
export PATH="$CONDA_ROOT/bin:$PATH"
python setup.py install --prefix=${GITHUB_WORKSPACE}/install-prefix
pip install . -Csetup-args=-Dtesting=true --prefix=${GITHUB_WORKSPACE}/install-prefix
- name: Test
run: |-
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2 changes: 2 additions & 0 deletions .gitignore
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Expand Up @@ -2,3 +2,5 @@
*.d
generated
build
subprojects/*
!subprojects/*.wrap
31 changes: 0 additions & 31 deletions CMakeLists.txt

This file was deleted.

5 changes: 2 additions & 3 deletions INSTALL
Original file line number Diff line number Diff line change
@@ -1,14 +1,13 @@

----------------------------------------------------------------------
INSTALLATION VIA COMPILATION
INSTALLATION VIA COMPILATION
----------------------------------------------------------------------

See also: http://pymolwiki.org/index.php/Linux_Install

REQUIREMENTS

- C++17 compiler (e.g. gcc 8+)
- CMake (3.13+)
- Python 3.9+
- Pmw (Python Megawidgets) (optional, for legacy GUI/plugins)
https://github.com/schrodinger/pmw-patched
Expand Down Expand Up @@ -50,7 +49,7 @@ SETUP OPTIONS

INSTALLATION

python setup.py install --prefix=~/someplace
pip install . --prefix=~/someplace

RUNNING PyMOL

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26 changes: 26 additions & 0 deletions contrib/champ/meson.build
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@@ -0,0 +1,26 @@
files_names = [
'champ.c',
'champ_module.c',
'chiral.c',
'err2.c',
'feedback2.c',
'list.c',
'os_memory.c',
'sort.c',
'strblock.c',
'vla.c',
]
champ_src_files = []

foreach file_name : files_names
champ_src_files += files(file_name)
endforeach

py.extension_module(
'_champ',
champ_src_files,
include_directories : include_directories('.'),
install: true,
subdir: 'chempy/champ'
)

Empty file.
3 changes: 1 addition & 2 deletions create_shadertext.py
Original file line number Diff line number Diff line change
Expand Up @@ -130,5 +130,4 @@ def create_buildinfo(outputdir, pymoldir='.'):
''' % (time.time(), sha), file=out)

if __name__ == "__main__":
create_shadertext(*sys.argv[1:6])
create_buildinfo(dirname(sys.argv[4]), dirname(dirname(sys.argv[1])))
create_all("build")
42 changes: 42 additions & 0 deletions layer0/meson.build
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@@ -0,0 +1,42 @@
src_files += files(
'Bezier.cpp',
'Block.cpp',
'CarveHelper.cpp',
'ccealignmodule.cpp',
'ContourSurf.cpp',
'Crystal.cpp',
'Err.cpp',
'Feedback.cpp',
'Field.cpp',
'File.cpp',
'GenericBuffer.cpp',
'GFXManager.cpp',
'GraphicsUtil.cpp',
'Isosurf.cpp',
'Map.cpp',
'marching_cubes.cpp',
'Match.cpp',
'Matrix.cpp',
'MemoryDebug.cpp',
'MemoryUsage.cpp',
'MyPNG.cpp',
'os_gl.cpp',
'Parse.cpp',
'Pixmap.cpp',
'PostProcess.cpp',
'ShaderMgr.cpp',
'ShaderPreprocessor.cpp',
'ShaderPrg.cpp',
'Sphere.cpp',
'Tetsurf.cpp',
'Texture.cpp',
'Tracker.cpp',
'Triangle.cpp',
'TTT.cpp',
'Util.cpp',
'Util2.cpp',
'Vector.cpp',
'Word.cpp',
)

include_dirs += include_directories('.')
50 changes: 50 additions & 0 deletions layer1/meson.build
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@@ -0,0 +1,50 @@
src_files += files(
'Basis.cpp',
'ButMode.cpp',
'Camera.cpp',
'CGO.cpp',
'CGOGL.cpp',
'CGORenderer.cpp',
'Character.cpp',
'COLLADA.cpp',
'Color.cpp',
'Control.cpp',
'Extrude.cpp',
'Font.cpp',
'FontGLUT.cpp',
'FontGLUT8x13.cpp',
'FontGLUT9x15.cpp',
'FontGLUTHel10.cpp',
'FontGLUTHel12.cpp',
'FontGLUTHel18.cpp',
'FontType.cpp',
'Movie.cpp',
'Ortho.cpp',
'P.cpp',
'PConv.cpp',
'Picking.cpp',
'Pop.cpp',
'PyMOLObject.cpp',
'Ray.cpp',
'Rep.cpp',
'Scene.cpp',
'SceneMouse.cpp',
'ScenePicking.cpp',
'SceneRay.cpp',
'SceneRender.cpp',
'SceneView.cpp',
'ScrollBar.cpp',
'Seq.cpp',
'Setting.cpp',
'Shaker.cpp',
'Symmetry.cpp',
'SymOp.cpp',
'SymOpPConv.cpp',
'SymOpTools.cpp',
'Text.cpp',
'TypeFace.cpp',
'View.cpp',
'Wizard.cpp',
)

include_dirs += include_directories('.')
56 changes: 56 additions & 0 deletions layer2/meson.build
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@@ -0,0 +1,56 @@
src_files += files(
'AssemblyHelpers.cpp',
'AtomInfo.cpp',
'AtomInfoHistory.cpp',
'BondTypeHistory.cpp',
'CifFile.cpp',
'CifMoleculeReader.cpp',
'CoordSet.cpp',
'DistSet.cpp',
'GadgetSet.cpp',
'HydrogenAdder.cpp',
'MmodTyping.cpp',
'MmtfMoleculeReader.cpp',
'Mol2Typing.cpp',
'MolV3000.cpp',
'ObjectAlignment.cpp',
'ObjectCallback.cpp',
'ObjectCGO.cpp',
'ObjectCurve.cpp',
'ObjectDist.cpp',
'ObjectGadget.cpp',
'ObjectGadgetRamp.cpp',
'ObjectGroup.cpp',
'ObjectMap.cpp',
'ObjectMesh.cpp',
'ObjectMolecule.cpp',
'ObjectMolecule2.cpp',
'ObjectMolecule3.cpp',
'ObjectSlice.cpp',
'ObjectSurface.cpp',
'ObjectVolume.cpp',
'RepAngle.cpp',
'RepCartoon.cpp',
'RepCylBond.cpp',
'RepDihedral.cpp',
'RepDistDash.cpp',
'RepDistLabel.cpp',
'RepDot.cpp',
'RepEllipsoid.cpp',
'RepLabel.cpp',
'RepMesh.cpp',
'RepNonbonded.cpp',
'RepNonbondedSphere.cpp',
'RepRibbon.cpp',
'RepSphere.cpp',
'RepSphereGenerate.cpp',
'RepSphereImmediate.cpp',
'RepSurface.cpp',
'RepWireBond.cpp',
'Sculpt.cpp',
'SculptCache.cpp',
'SideChainHelper.cpp',
'VFont.cpp',
)

include_dirs += include_directories('.')
20 changes: 20 additions & 0 deletions layer3/meson.build
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@@ -0,0 +1,20 @@
src_files += files(
'AtomIterators.cpp',
'CifDataValueFormatter.cpp',
'Editor.cpp',
'Executive.cpp',
'ExecutivePython.cpp',
'Interactions.cpp',
'MaeExportHelpers.cpp',
'MoleculeExporter.cpp',
'MovieScene.cpp',
'PlugIOManager.cpp',
'RingFinder.cpp',
'Seeker.cpp',
'Selector.cpp',
'SelectorTmp.cpp',
'SpecRec.cpp',
'SpecRecSpecial.cpp',
)

include_dirs += include_directories('.')
7 changes: 7 additions & 0 deletions layer4/meson.build
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@@ -0,0 +1,7 @@
src_files += files(
'Cmd.cpp',
'Menu.cpp',
'PopUp.cpp',
)

include_dirs += include_directories('.')
7 changes: 7 additions & 0 deletions layer5/meson.build
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@@ -0,0 +1,7 @@
src_files += files(
'main.cpp',
'PyMOL.cpp',
'TestPyMOL.cpp'
)

include_dirs += include_directories('.')
31 changes: 31 additions & 0 deletions layerCTest/meson.build
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@@ -0,0 +1,31 @@
src_files += files(
'Test.cpp',
'Test_Algorithm.cpp',
'Test_Bezier.cpp',
'Test_cache_ptr.cpp',
'Test_CCrystal.cpp',
'Test_CifFile.cpp',
'Test_Classic_VLA.cpp',
'Test_copyable_ptr.cpp',
'Test_Event.cpp',
'Test_Executive.cpp',
'Test_Image.cpp',
'Test_List.cpp',
'Test_Picking.cpp',
'Test_Result.cpp',
'Test_ScrollBar.cpp',
'Test_ShaderPreprocessor.cpp',
'Test_SymOp.cpp',
'Test_Test.cpp',
'Test_TTT.cpp',
'Test_type_traits.cpp',
'Test_Util.cpp',
'Test_VLA.cpp',
'Test_zstring_view.cpp',
)


dependencies += subproject('catch2').get_variable('catch2_dep')
include_dirs += include_directories('.')
macros += '-D_PYMOL_CTEST'

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