diff --git a/.github/workflows/build-windows-executable-app.yaml b/.github/workflows/build-windows-executable-app.yaml index 83d3f8b..72eac49 100644 --- a/.github/workflows/build-windows-executable-app.yaml +++ b/.github/workflows/build-windows-executable-app.yaml @@ -11,7 +11,7 @@ on: # Define needed TOPP tools here env: TOPP_TOOLS: "FLASHDeconv FLASHTnT DecoyDatabase" - OPENMS_VERSION: 3.2.0 + OPENMS_VERSION: 3.5.0 PYTHON_VERSION: 3.11.0 # Name of the installer APP_NAME: FLASHApp-0.9.15 @@ -61,14 +61,10 @@ jobs: path: 'OpenMS' - name: Install Qt - uses: jurplel/install-qt-action@v3 + uses: jurplel/install-qt-action@v4 with: - version: '5.15.2' # 5.12.7 is broken https://bugreports.qt.io/browse/QTBUG-81715, > 5.15.2 is not available on official archives (https://github.com/miurahr/aqtinstall/issues/636) - host: 'windows' # default: win64_msvc2017_64 - target: 'desktop' - install-deps: 'true' - cache: 'false' - aqtversion: '==3.1.*' + version: '6.8.3' + arch: 'win64_msvc2022_64' # https://github.com/marketplace/actions/visual-studio-shell - name: Set up Visual Studio shell @@ -137,7 +133,7 @@ jobs: # add third-party binaries to PATH # use flat THIRDPARTY structure mkdir -p _thirdparty - cp -R OpenMS/THIRDPARTY/Windows/64bit/* _thirdparty/ + cp -R OpenMS/THIRDPARTY/Windows/x86_64/* _thirdparty/ cp -R OpenMS/THIRDPARTY/All/* _thirdparty/ # add third-party binaries to PATH for thirdpartytool in ${{ github.workspace }}/_thirdparty/* diff --git a/Dockerfile b/Dockerfile index 2605265..1ef2091 100644 --- a/Dockerfile +++ b/Dockerfile @@ -53,7 +53,7 @@ RUN apt-get install -y --no-install-recommends --no-install-suggests libboost-da libboost-regex1.74-dev \ libboost-math1.74-dev \ libboost-random1.74-dev -RUN apt-get install -y --no-install-recommends --no-install-suggests qtbase5-dev libqt5svg5-dev libqt5opengl5-dev +RUN apt-get install -y --no-install-recommends --no-install-suggests qt6-base-dev libqt6svg6-dev libqt6opengl6-dev libqt6openglwidgets6 libgl-dev # Install Github CLI RUN (type -p wget >/dev/null || (apt-get update && apt-get install wget -y)) \ @@ -80,7 +80,7 @@ SHELL ["mamba", "run", "-n", "streamlit-env", "/bin/bash", "-c"] # Install up-to-date cmake via mamba and packages for pyOpenMS build. RUN mamba install cmake -RUN pip install --upgrade pip && python -m pip install -U setuptools nose 'Cython<3.1' 'autowrap<0.23' pandas 'numpy==1.26.4' pytest +RUN pip install --upgrade pip && python -m pip install -U setuptools nose 'Cython>=3.1' 'autowrap==0.23.0' pandas 'numpy>=2.0' pytest # Clone OpenMS branch and the associcated contrib+thirdparties+pyOpenMS-doc submodules. RUN git clone --recursive --depth=1 -b ${OPENMS_BRANCH} --single-branch ${OPENMS_REPO} && cd /OpenMS @@ -90,7 +90,7 @@ WORKDIR /OpenMS RUN mkdir /thirdparty && \ git submodule update --init THIRDPARTY && \ cp -r THIRDPARTY/All/* /thirdparty && \ - cp -r THIRDPARTY/Linux/64bit/* /thirdparty && \ + cp -r THIRDPARTY/Linux/x86_64/* /thirdparty && \ chmod -R +x /thirdparty ENV PATH="/thirdparty/LuciPHOr2:/thirdparty/MSGFPlus:/thirdparty/Sirius:/thirdparty/ThermoRawFileParser:/thirdparty/Comet:/thirdparty/Fido:/thirdparty/MaRaCluster:/thirdparty/MyriMatch:/thirdparty/OMSSA:/thirdparty/Percolator:/thirdparty/SpectraST:/thirdparty/XTandem:/thirdparty/crux:${PATH}" @@ -103,7 +103,7 @@ RUN mkdir /openms-build WORKDIR /openms-build # Configure. -RUN /bin/bash -c "cmake -DCMAKE_BUILD_TYPE='Release' -DCMAKE_PREFIX_PATH='/OpenMS/contrib-build/;/usr/;/usr/local' -DHAS_XSERVER=OFF -DBOOST_USE_STATIC=OFF -DPYOPENMS=ON ../OpenMS -DPY_MEMLEAK_DISABLE=On DOPENMP=ON" +RUN /bin/bash -c "cmake -DCMAKE_BUILD_TYPE='Release' -DCMAKE_PREFIX_PATH='/OpenMS/contrib-build/;/usr/;/usr/local' -DHAS_XSERVER=OFF -DBOOST_USE_STATIC=OFF -DPYOPENMS=ON ../OpenMS -DPY_MEMLEAK_DISABLE=On -DOPENMP=ON" # Build TOPP tools and clean up. RUN make -j4 TOPP @@ -116,7 +116,7 @@ RUN pip install dist/*.whl # Install other dependencies (excluding pyopenms) COPY requirements.txt ./requirements.txt -RUN grep -v '^pyopenms' requirements.txt > requirements_cleaned.txt && mv requirements_cleaned.txt requirements.txt +RUN grep -Ev '^pyopenms([=<>!~].*)?$' requirements.txt > requirements_cleaned.txt && mv requirements_cleaned.txt requirements.txt RUN pip install -r requirements.txt WORKDIR / diff --git a/requirements.txt b/requirements.txt index badde51..3237a81 100644 --- a/requirements.txt +++ b/requirements.txt @@ -50,7 +50,7 @@ matplotlib==3.10.1 # via pyopenms narwhals==1.32.0 # via altair -numpy==1.26.4 +numpy>=2.0 # via # contourpy # matplotlib