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deargen · Oct 16, 2024 · d3e4fde · d3e4fde
1 parent a3ed43f
commit d3e4fde
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diff --git a/.gitignore b/.gitignore
@@ -2,6 +2,7 @@
 
 # some files created when calling apbs?
 io.mc
+.DS_Store
 
 # Created by https://www.toptal.com/developers/gitignore/api/python
 # Edit at https://www.toptal.com/developers/gitignore?templates=python

diff --git a/build_python.sh b/build_python.sh
@@ -18,68 +18,77 @@ fi
 SCRIPT_DIR=$( cd -- "$( dirname -- "${BASH_SOURCE[0]}" )" &> /dev/null && pwd )
 mkdir -p "$SCRIPT_DIR/dist"
 
-TEMP_DIR=$(mktemp -d)
-PYTHON_BUILD_DIR="$TEMP_DIR/python"
-PYTHON_PACKAGE_DIR="$PYTHON_BUILD_DIR/src/apbs_binary"
-echo "Temp directory: $TEMP_DIR"
-echo "Python build directory: $PYTHON_BUILD_DIR"
-
-# copy the python project to the temp directory
-cp -r python "$TEMP_DIR"
-cp "$SCRIPT_DIR/README.md" "$PYTHON_BUILD_DIR"
-mkdir "$PYTHON_BUILD_DIR/src/apbs_binary/bin"
-
-# Replace version = "0.0.0" with the desired version
-$SED -i "s/version = \"0.0.0\"/version = \"$PY_PACKAGE_VERSION\"/g" "$PYTHON_BUILD_DIR/pyproject.toml" || { echo "Failure"; exit 1; }
-# Replace __version__ = "0.0.0" with the desired version
-$SED -i "s/__version__ = \"0.0.0\"/__version__ = \"$PY_PACKAGE_VERSION\"/g" "$PYTHON_PACKAGE_DIR/__init__.py" || { echo "Failure"; exit 1; }
+prepare_python_in_temp_dir() {
+    TEMP_DIR=$(mktemp -d)
+    PYTHON_BUILD_DIR="$TEMP_DIR/python"
+    PYTHON_PACKAGE_DIR="$PYTHON_BUILD_DIR/src/apbs_binary"
+    echo "Temp directory: $TEMP_DIR"
+    echo "Python build directory: $PYTHON_BUILD_DIR"
+
+    # copy the python project to the temp directory
+    cp -r "$SCRIPT_DIR/python" "$TEMP_DIR"
+    cp "$SCRIPT_DIR/README.md" "$PYTHON_BUILD_DIR"
+    mkdir "$PYTHON_BUILD_DIR/src/apbs_binary/bin"
+
+    # Replace version = "0.0.0" with the desired version
+    $SED -i "s/version = \"0.0.0\"/version = \"$PY_PACKAGE_VERSION\"/g" "$PYTHON_BUILD_DIR/pyproject.toml" || { echo "Failure"; exit 1; }
+    # Replace __version__ = "0.0.0" with the desired version
+    $SED -i "s/__version__ = \"0.0.0\"/__version__ = \"$PY_PACKAGE_VERSION\"/g" "$PYTHON_PACKAGE_DIR/__init__.py" || { echo "Failure"; exit 1; }
+}
+
+build_wheel() {
+    cd "$PYTHON_BUILD_DIR" || { echo "Failure"; exit 1; }
+    pyproject-build --installer=uv --wheel
+    wheel tags --python-tag py3 --abi-tag none --platform "$PLATFORM_NAME" dist/*.whl --remove
+    mv "$PYTHON_BUILD_DIR/dist/"*.whl "$SCRIPT_DIR/dist"
+}
 
 # extract each binary in the temp directory
 # 1. macosx_12_0_arm64
+prepare_python_in_temp_dir
+
 PLATFORM_NAME="macosx_12_0_arm64"
 tar xvzf "$SCRIPT_DIR/data/apbs-$APBS_VERSION/apbs-${APBS_VERSION}_2-macosx_12_0_arm64.tar.gz" -C "$TEMP_DIR"
 mv "$TEMP_DIR/${APBS_VERSION}_2/bin/apbs" "$PYTHON_PACKAGE_DIR/bin"
 mv "$TEMP_DIR/${APBS_VERSION}_2/share/apbs/tools/bin/"* "$PYTHON_PACKAGE_DIR/bin"
-cd "$PYTHON_BUILD_DIR" || { echo "Failure"; exit 1; }
-pyproject-build --installer=uv --wheel
-wheel tags --python-tag py3 --abi-tag none --platform "$PLATFORM_NAME" dist/*.whl --remove
-mv "$PYTHON_BUILD_DIR/dist/"*.whl "$SCRIPT_DIR/dist"
+
+build_wheel
 
 # 2. macosx_11_0_x86_64
+prepare_python_in_temp_dir
+
 PLATFORM_NAME="macosx_11_6_x86_64"
-rm -rf "${PYTHON_PACKAGE_DIR:?}/bin"  # ${var:?} to ensure it doesn't expand to /bin !
-mkdir "$PYTHON_PACKAGE_DIR/bin"
+# rm -rf "${PYTHON_PACKAGE_DIR:?}/bin"  # ${var:?} to ensure it doesn't expand to /bin !
+# mkdir "$PYTHON_PACKAGE_DIR/bin"
 unzip "$SCRIPT_DIR/data/apbs-${APBS_VERSION}/APBS-${APBS_VERSION}.Darwin.zip" -d "$TEMP_DIR"
 mv "$TEMP_DIR/APBS-${APBS_VERSION}.Darwin/bin/apbs" "$PYTHON_PACKAGE_DIR/bin"
 mv "$TEMP_DIR/APBS-${APBS_VERSION}.Darwin/share/apbs/tools/bin/"* "$PYTHON_PACKAGE_DIR/bin"
-cd "$PYTHON_BUILD_DIR" || { echo "Failure"; exit 1; }
-pyproject-build --installer=uv --wheel
-wheel tags --python-tag py3 --abi-tag none --platform "$PLATFORM_NAME" dist/*.whl --remove
-mv "$PYTHON_BUILD_DIR/dist/"*.whl "$SCRIPT_DIR/dist"
+
+build_wheel
 
 # 3. Linux
+prepare_python_in_temp_dir
+
 # NOTE: the actual platform is manylinux_2_30_x86_64, but it won't be compatible with uv pip compile.
 # Thus we use manylinux_2_28_x86_64, for now.
 # It will crash when running in Ubuntu 18.04 but still succeed to install.
 PLATFORM_NAME="manylinux_2_28_x86_64"
-rm -rf "${PYTHON_PACKAGE_DIR:?}/bin"  # ${var:?} to ensure it doesn't expand to /bin !
-mkdir "$PYTHON_PACKAGE_DIR/bin"
+# rm -rf "${PYTHON_PACKAGE_DIR:?}/bin"  # ${var:?} to ensure it doesn't expand to /bin !
+# mkdir "$PYTHON_PACKAGE_DIR/bin"
 unzip "$SCRIPT_DIR/data/apbs-${APBS_VERSION}/APBS-${APBS_VERSION}.Linux.zip" -d "$TEMP_DIR"
 mv "$TEMP_DIR/APBS-${APBS_VERSION}.Linux/bin/apbs" "$PYTHON_PACKAGE_DIR/bin"
 mv "$TEMP_DIR/APBS-${APBS_VERSION}.Linux/share/apbs/tools/bin/"* "$PYTHON_PACKAGE_DIR/bin"
-cd "$PYTHON_BUILD_DIR" || { echo "Failure"; exit 1; }
-pyproject-build --installer=uv --wheel
-wheel tags --python-tag py3 --abi-tag none --platform "$PLATFORM_NAME" dist/*.whl --remove
-mv "$PYTHON_BUILD_DIR/dist/"*.whl "$SCRIPT_DIR/dist"
+
+build_wheel
 
 # 4. Windows
+prepare_python_in_temp_dir
+
 PLATFORM_NAME="win_amd64"
-rm -rf "${PYTHON_PACKAGE_DIR:?}/bin"  # ${var:?} to ensure it doesn't expand to /bin !
-mkdir "$PYTHON_PACKAGE_DIR/bin"
+# rm -rf "${PYTHON_PACKAGE_DIR:?}/bin"  # ${var:?} to ensure it doesn't expand to /bin !
+# mkdir "$PYTHON_PACKAGE_DIR/bin"
 unzip "$SCRIPT_DIR/data/apbs-${APBS_VERSION}/APBS-${APBS_VERSION}.Windows.zip" -d "$TEMP_DIR"
 mv "$TEMP_DIR/APBS-${APBS_VERSION}.Windows/bin/apbs.exe" "$PYTHON_PACKAGE_DIR/bin"
 mv "$TEMP_DIR/APBS-${APBS_VERSION}.Windows/share/apbs/tools/bin/"*.exe "$PYTHON_PACKAGE_DIR/bin"
-cd "$PYTHON_BUILD_DIR" || { echo "Failure"; exit 1; }
-pyproject-build --installer=uv --wheel
-wheel tags --python-tag py3 --abi-tag none --platform "$PLATFORM_NAME" dist/*.whl --remove
-mv "$PYTHON_BUILD_DIR/dist/"*.whl "$SCRIPT_DIR/dist"
+
+build_wheel