binary_manager.html 38.02 KiB
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<h1>Source code for arbdmodel.binary_manager</h1><div class="highlight"><pre>
<span></span><span class="c1"># -*- coding: utf-8 -*-</span>
<span class="kn">import</span><span class="w"> </span><span class="nn">os</span>
<span class="kn">import</span><span class="w"> </span><span class="nn">platform</span>
<span class="kn">import</span><span class="w"> </span><span class="nn">shutil</span>
<span class="kn">from</span><span class="w"> </span><span class="nn">pathlib</span><span class="w"> </span><span class="kn">import</span> <span class="n">Path</span>
<span class="kn">from</span><span class="w"> </span><span class="nn">.logger</span><span class="w"> </span><span class="kn">import</span> <span class="n">logger</span><span class="p">,</span> <span class="n">get_resource_path</span>
<span class="c1"># Default binary names by platform</span>
<span class="n">DEFAULT_BINARIES</span> <span class="o">=</span> <span class="p">{</span>
<span class="s2">"arbd"</span><span class="p">:</span> <span class="p">{</span>
<span class="s2">"windows"</span><span class="p">:</span> <span class="s2">"arbd.exe"</span><span class="p">,</span>
<span class="s2">"linux"</span><span class="p">:</span> <span class="s2">"arbd"</span><span class="p">,</span>
<span class="s2">"darwin"</span><span class="p">:</span> <span class="s2">"arbd"</span><span class="p">,</span> <span class="c1"># macOS uses same binary name as Linux</span>
<span class="p">},</span>
<span class="s2">"namd"</span><span class="p">:</span> <span class="p">{</span>
<span class="s2">"windows"</span><span class="p">:</span> <span class="s2">"namd2.exe"</span><span class="p">,</span>
<span class="s2">"linux"</span><span class="p">:</span> <span class="s2">"namd2"</span><span class="p">,</span>
<span class="s2">"darwin"</span><span class="p">:</span> <span class="s2">"namd2"</span><span class="p">,</span> <span class="c1"># macOS uses same binary name as Linux</span>
<span class="p">},</span>
<span class="s2">"vmd"</span><span class="p">:</span> <span class="p">{</span>
<span class="s2">"windows"</span><span class="p">:</span> <span class="s2">"vmd.exe"</span><span class="p">,</span>
<span class="s2">"linux"</span><span class="p">:</span> <span class="s2">"vmd"</span><span class="p">,</span>
<span class="s2">"darwin"</span><span class="p">:</span> <span class="s2">"vmd"</span><span class="p">,</span> <span class="c1"># macOS uses same binary name as Linux</span>
<span class="p">},</span>
<span class="s2">"hydropro"</span><span class="p">:</span> <span class="p">{</span>
<span class="s2">"windows"</span><span class="p">:</span> <span class="s2">"hydropro10-msd.exe"</span><span class="p">,</span>
<span class="s2">"linux"</span><span class="p">:</span> <span class="s2">"hydropro10-lnx.exe"</span><span class="p">,</span>
<span class="s2">"darwin"</span><span class="p">:</span> <span class="s2">"hydropro10-lnx.exe"</span><span class="p">,</span> <span class="c1"># HydroPro doesn't have a macOS-specific version, use Linux version</span>
<span class="p">},</span>
<span class="s2">"apbs"</span><span class="p">:</span> <span class="p">{</span>
<span class="s2">"windows"</span><span class="p">:</span> <span class="s2">"apbs.exe"</span><span class="p">,</span>
<span class="s2">"linux"</span><span class="p">:</span> <span class="s2">"apbs"</span><span class="p">,</span>
<span class="s2">"darwin"</span><span class="p">:</span> <span class="s2">"apbs"</span><span class="p">,</span> <span class="c1"># macOS uses same binary name as Linux</span>
<span class="p">},</span>
<span class="s2">"gmsh"</span><span class="p">:</span> <span class="p">{</span>
<span class="s2">"windows"</span><span class="p">:</span> <span class="s2">"gmsh.exe"</span><span class="p">,</span>
<span class="s2">"linux"</span><span class="p">:</span> <span class="s2">"gmsh"</span><span class="p">,</span>
<span class="s2">"darwin"</span><span class="p">:</span> <span class="s2">"gmsh"</span><span class="p">,</span> <span class="c1"># macOS uses same binary name as Linux</span>
<span class="p">},</span>
<span class="p">}</span>
<span class="c1"># Resource directories where binaries might be bundled with the package</span>
<span class="n">RESOURCE_DIRS</span> <span class="o">=</span> <span class="p">{</span>
<span class="s2">"hydropro"</span><span class="p">:</span> <span class="s2">"hydropro10"</span><span class="p">,</span>
<span class="p">}</span>
<span class="c1"># Singleton for binary path management</span><span class="k">class</span><span class="w"> </span><span class="nc">_BinaryManager</span><span class="p">:</span>
<span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
<span class="c1"># Initialize empty paths dictionary</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span> <span class="o">=</span> <span class="p">{}</span>
<span class="c1"># Determine platform</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_platform</span> <span class="o">=</span> <span class="n">platform</span><span class="o">.</span><span class="n">system</span><span class="p">()</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span>
<span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">_platform</span> <span class="ow">not</span> <span class="ow">in</span> <span class="p">(</span><span class="s2">"windows"</span><span class="p">,</span> <span class="s2">"linux"</span><span class="p">,</span> <span class="s2">"darwin"</span><span class="p">):</span>
<span class="n">logger</span><span class="o">.</span><span class="n">warning</span><span class="p">(</span><span class="sa">f</span><span class="s2">"Unsupported platform: </span><span class="si">{</span><span class="bp">self</span><span class="o">.</span><span class="n">_platform</span><span class="si">}</span><span class="s2">, using linux defaults"</span><span class="p">)</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_platform</span> <span class="o">=</span> <span class="s2">"linux"</span>
<span class="c1"># For binary path purposes, treat macOS (darwin) similar to Linux for many tools</span>
<span class="c1"># that don't have macOS-specific versions</span>
<span class="k">def</span><span class="w"> </span><span class="nf">set_binary_path</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">binary_name</span><span class="p">,</span> <span class="n">path</span><span class="p">):</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Set the path for a specific binary.</span>
<span class="sd"> </span>
<span class="sd"> Args:</span>
<span class="sd"> binary_name: The name of the binary (e.g., 'arbd', 'hydropro')</span>
<span class="sd"> path: The full path to the binary</span>
<span class="sd"> """</span>
<span class="k">if</span> <span class="n">path</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
<span class="k">if</span> <span class="n">binary_name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="p">:</span>
<span class="k">del</span> <span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="p">[</span><span class="n">binary_name</span><span class="p">]</span>
<span class="k">return</span>
<span class="n">path</span> <span class="o">=</span> <span class="n">Path</span><span class="p">(</span><span class="n">path</span><span class="p">)</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="p">[</span><span class="n">binary_name</span><span class="o">.</span><span class="n">lower</span><span class="p">()]</span> <span class="o">=</span> <span class="n">path</span>
<span class="k">def</span><span class="w"> </span><span class="nf">get_binary_path</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">binary_name</span><span class="p">):</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Get the path for a specific binary, searching if not explicitly set.</span>
<span class="sd"> </span>
<span class="sd"> Args:</span>
<span class="sd"> binary_name: The name of the binary (e.g., 'arbd', 'hydropro')</span>
<span class="sd"> </span>
<span class="sd"> Returns:</span>
<span class="sd"> Path to the binary if found, None otherwise</span>
<span class="sd"> """</span>
<span class="n">binary_name</span> <span class="o">=</span> <span class="n">binary_name</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span>
<span class="c1"># 1. Return already configured path if available</span>
<span class="k">if</span> <span class="n">binary_name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="p">:</span>
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="p">[</span><span class="n">binary_name</span><span class="p">]</span>
<span class="c1"># 2. Search for the binary</span>
<span class="n">binary_path</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_find_binary</span><span class="p">(</span><span class="n">binary_name</span><span class="p">)</span>
<span class="k">if</span> <span class="n">binary_path</span><span class="p">:</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="p">[</span><span class="n">binary_name</span><span class="p">]</span> <span class="o">=</span> <span class="n">binary_path</span>
<span class="k">return</span> <span class="n">binary_path</span>
<span class="c1"># 3. Not found</span>
<span class="k">return</span> <span class="kc">None</span>
<span class="k">def</span><span class="w"> </span><span class="nf">_find_binary</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">binary_name</span><span class="p">):</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Search for a binary in standard locations.</span>
<span class="sd"> </span>
<span class="sd"> Search order:</span>
<span class="sd"> 1. System PATH</span>
<span class="sd"> 2. Package resource directories</span>
<span class="sd"> 3. Current directory</span>
<span class="sd"> </span>
<span class="sd"> Args:</span>
<span class="sd"> binary_name: The name of the binary to find</span>
<span class="sd"> </span>
<span class="sd"> Returns:</span>
<span class="sd"> Path to the binary if found, None otherwise</span>
<span class="sd"> """</span> <span class="c1"># Get the default binary name for the current platform</span>
<span class="k">if</span> <span class="n">binary_name</span> <span class="ow">in</span> <span class="n">DEFAULT_BINARIES</span><span class="p">:</span>
<span class="n">binary_filename</span> <span class="o">=</span> <span class="n">DEFAULT_BINARIES</span><span class="p">[</span><span class="n">binary_name</span><span class="p">][</span><span class="bp">self</span><span class="o">.</span><span class="n">_platform</span><span class="p">]</span>
<span class="k">else</span><span class="p">:</span>
<span class="c1"># If not in our defaults, use the name as is</span>
<span class="n">binary_filename</span> <span class="o">=</span> <span class="n">binary_name</span>
<span class="c1"># 1. Check in system PATH</span>
<span class="n">system_path</span> <span class="o">=</span> <span class="n">shutil</span><span class="o">.</span><span class="n">which</span><span class="p">(</span><span class="n">binary_filename</span><span class="p">)</span>
<span class="k">if</span> <span class="n">system_path</span><span class="p">:</span>
<span class="k">return</span> <span class="n">Path</span><span class="p">(</span><span class="n">system_path</span><span class="p">)</span>
<span class="c1"># 2. Check in package resource directories</span>
<span class="k">if</span> <span class="n">binary_name</span> <span class="ow">in</span> <span class="n">RESOURCE_DIRS</span><span class="p">:</span>
<span class="n">resource_dir</span> <span class="o">=</span> <span class="n">get_resource_path</span><span class="p">(</span><span class="n">RESOURCE_DIRS</span><span class="p">[</span><span class="n">binary_name</span><span class="p">])</span>
<span class="n">resource_path</span> <span class="o">=</span> <span class="n">resource_dir</span> <span class="o">/</span> <span class="n">binary_filename</span>
<span class="k">if</span> <span class="n">resource_path</span><span class="o">.</span><span class="n">exists</span><span class="p">():</span>
<span class="c1"># Make binary executable if needed (Unix only)</span>
<span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">_platform</span> <span class="o">!=</span> <span class="s2">"windows"</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">os</span><span class="o">.</span><span class="n">access</span><span class="p">(</span><span class="n">resource_path</span><span class="p">,</span> <span class="n">os</span><span class="o">.</span><span class="n">X_OK</span><span class="p">):</span>
<span class="n">os</span><span class="o">.</span><span class="n">chmod</span><span class="p">(</span><span class="n">resource_path</span><span class="p">,</span> <span class="mo">0o755</span><span class="p">)</span>
<span class="k">return</span> <span class="n">resource_path</span>
<span class="c1"># 3. Check in current directory</span>
<span class="n">local_path</span> <span class="o">=</span> <span class="n">Path</span><span class="o">.</span><span class="n">cwd</span><span class="p">()</span> <span class="o">/</span> <span class="n">binary_filename</span>
<span class="k">if</span> <span class="n">local_path</span><span class="o">.</span><span class="n">exists</span><span class="p">():</span>
<span class="k">return</span> <span class="n">local_path</span>
<span class="c1"># Not found</span>
<span class="k">return</span> <span class="kc">None</span>
<span class="k">def</span><span class="w"> </span><span class="nf">get_all_paths</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Get all configured binary paths.</span>
<span class="sd"> </span>
<span class="sd"> Returns:</span>
<span class="sd"> Dictionary of binary name to path</span>
<span class="sd"> """</span>
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
<span class="k">def</span><span class="w"> </span><span class="nf">export_to_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Export all binary paths as a dictionary of strings.</span>
<span class="sd"> </span>
<span class="sd"> Returns:</span>
<span class="sd"> Dictionary of binary name to string path</span>
<span class="sd"> """</span>
<span class="k">return</span> <span class="p">{</span><span class="n">name</span><span class="p">:</span> <span class="nb">str</span><span class="p">(</span><span class="n">path</span><span class="p">)</span> <span class="k">for</span> <span class="n">name</span><span class="p">,</span> <span class="n">path</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">_binary_paths</span><span class="o">.</span><span class="n">items</span><span class="p">()}</span>
<span class="k">def</span><span class="w"> </span><span class="nf">import_from_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">paths_dict</span><span class="p">):</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Import binary paths from a dictionary.</span>
<span class="sd"> </span>
<span class="sd"> Args:</span>
<span class="sd"> paths_dict: Dictionary of binary name to path</span>
<span class="sd"> """</span>
<span class="k">for</span> <span class="n">name</span><span class="p">,</span> <span class="n">path</span> <span class="ow">in</span> <span class="n">paths_dict</span><span class="o">.</span><span class="n">items</span><span class="p">():</span>
<span class="k">if</span> <span class="n">path</span><span class="p">:</span> <span class="c1"># Skip empty paths</span>
<span class="bp">self</span><span class="o">.</span><span class="n">set_binary_path</span><span class="p">(</span><span class="n">name</span><span class="p">,</span> <span class="n">path</span><span class="p">)</span>
<span class="k">def</span><span class="w"> </span><span class="nf">is_binary_essential</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">binary_name</span><span class="p">):</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Check if a binary is considered essential for core functionality.</span>
<span class="sd"> </span>
<span class="sd"> Args:</span>
<span class="sd"> binary_name: The name of the binary to check</span>
<span class="sd"> </span>
<span class="sd"> Returns:</span>
<span class="sd"> True if the binary is essential, False otherwise</span>
<span class="sd"> """</span>
<span class="n">essential_binaries</span> <span class="o">=</span> <span class="p">[</span><span class="s2">"arbd"</span><span class="p">]</span> <span class="c1"># These are required for core functionality</span> <span class="k">return</span> <span class="n">binary_name</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span> <span class="ow">in</span> <span class="n">essential_binaries</span>
<span class="c1"># Create the singleton instance</span>
<span class="n">BinaryManager</span> <span class="o">=</span> <span class="n">_BinaryManager</span><span class="p">()</span>
<span class="c1"># Initialize binary paths from environment variables</span>
<div class="viewcode-block" id="initialize_binary_paths">
<a class="viewcode-back" href="../../api/utilities/binary_manager.html#arbdmodel.binary_manager.initialize_binary_paths">[docs]</a>
<span class="k">def</span><span class="w"> </span><span class="nf">initialize_binary_paths</span><span class="p">():</span>
<span class="w"> </span><span class="sd">"""</span>
<span class="sd"> Initialize binary paths from environment variables.</span>
<span class="sd"> This function should be called during package initialization.</span>
<span class="sd"> If users don't wish to call this function, they can set the paths manually.</span>
<span class="sd"> Example: </span>
<span class="sd"> >>> arbd_path = BinaryManager.get_binary_path("arbd")</span>
<span class="sd"> >>> print(f"ARBD binary path: {arbd_path}")</span>
<span class="sd"> >>> BinaryManager.set_binary_path("hydropro", "/path/to/hydropro")</span>
<span class="sd"> """</span>
<span class="c1"># Check environment variables for binary paths</span>
<span class="k">for</span> <span class="n">binary</span> <span class="ow">in</span> <span class="n">DEFAULT_BINARIES</span><span class="p">:</span>
<span class="n">env_var</span> <span class="o">=</span> <span class="sa">f</span><span class="s2">"</span><span class="si">{</span><span class="n">binary</span><span class="o">.</span><span class="n">upper</span><span class="p">()</span><span class="si">}</span><span class="s2">_PATH"</span>
<span class="k">if</span> <span class="n">env_var</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">environ</span><span class="p">:</span>
<span class="n">BinaryManager</span><span class="o">.</span><span class="n">set_binary_path</span><span class="p">(</span><span class="n">binary</span><span class="p">,</span> <span class="n">os</span><span class="o">.</span><span class="n">environ</span><span class="p">[</span><span class="n">env_var</span><span class="p">])</span>
<span class="c1"># Try to load from configuration file</span>
<span class="k">try</span><span class="p">:</span>
<span class="kn">import</span><span class="w"> </span><span class="nn">json</span>
<span class="n">config_path</span> <span class="o">=</span> <span class="n">Path</span><span class="o">.</span><span class="n">home</span><span class="p">()</span> <span class="o">/</span> <span class="s2">".config"</span> <span class="o">/</span> <span class="s2">"arbd"</span> <span class="o">/</span> <span class="s2">"binaries.json"</span>
<span class="k">if</span> <span class="n">config_path</span><span class="o">.</span><span class="n">exists</span><span class="p">():</span>
<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">config_path</span><span class="p">)</span> <span class="k">as</span> <span class="n">f</span><span class="p">:</span>
<span class="n">paths_dict</span> <span class="o">=</span> <span class="n">json</span><span class="o">.</span><span class="n">load</span><span class="p">(</span><span class="n">f</span><span class="p">)</span>
<span class="n">BinaryManager</span><span class="o">.</span><span class="n">import_from_dict</span><span class="p">(</span><span class="n">paths_dict</span><span class="p">)</span>
<span class="k">except</span> <span class="ne">Exception</span> <span class="k">as</span> <span class="n">e</span><span class="p">:</span>
<span class="c1"># Silently continue with environment or defaults if config loading fails</span>
<span class="k">pass</span></div>
<span class="c1"># Initialize binary paths on module import</span>
<span class="n">initialize_binary_paths</span><span class="p">()</span>
<span class="sd">"""</span>
<span class="sd">Usage example: </span>
<span class="sd">arbd_path = BinaryManager.get_binary_path("arbd")</span>
<span class="sd">print(f"ARBD binary path: {arbd_path}")</span>
<span class="sd"># Set binary path</span>
<span class="sd">BinaryManager.set_binary_path("hydropro", "/path/to/hydropro")</span>
<span class="sd">"""</span>
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