Test Git Actions workflows triggered by PR

.github/workflows/compile-binaries.yaml

@@ -23,7 +23,7 @@ on:
 
 jobs:
   compile_binaries:
-    name: Build wheels on ${{ matrix.os }}
+    name: Compile binaries on ${{ matrix.os }}
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:

build/linux/release/Makefile

@@ -1,4 +1,4 @@
-BASE=/usr/local
+BASE=/usr
 BOOST_VERSION=
 BOOST_INCLUDE = $(BASE)/include
 C_PLATFORM=-static -pthread

build/mac/release/Makefile

@@ -1,4 +1,4 @@
-BASE=/usr/local
+BASE=$(shell brew --prefix)
 BOOST_VERSION=
 BOOST_INCLUDE = $(BASE)/include
 C_PLATFORM=-pthread

build/python/setup.py

@@ -19,6 +19,17 @@
 from distutils.util import convert_path
 from distutils.sysconfig import customize_compiler
 from distutils.ccompiler import show_compilers
+from packaging.version import Version, InvalidVersion
+
+def is_pep440_compliant(version_str):
+    try:
+        # Attempt to parse the version string using packaging's Version class
+        Version(version_str)
+        return True
+    except InvalidVersion:
+        # If parsing fails, the version is not PEP 440 compliant
+        print(f"{version_str} is not PEP 440 compliant")
+        return False
 
 
 # Path to the directory that contains this setup.py file.
@@ -59,7 +70,8 @@ def find_version():
             version = f.read().strip()
 
         print('Version found: %s (from version.py)' % version)
-        return version
+        if is_pep440_compliant(version):
+            return version
 
     try:
         git_output = subprocess.check_output(['git', 'describe', '--abbrev=7', '--dirty=@mod', '--always', '--tags'])
@@ -70,7 +82,8 @@ def find_version():
         version = git_output.replace('-', '.dev', 1).replace('@', '-', 1).replace('-', '+', 1).replace('-','')
 
         print('Version found %s (from git describe)' % version)
-        return version
+        if is_pep440_compliant(version):
+            return version
     except:
         pass
 
@@ -131,6 +144,14 @@ def locate_boost():
             return include_dirs, '/usr/lib64'
         elif glob.glob('/usr/lib/libboost*'):
             return include_dirs, '/usr/lib'
+
+    # Added to support Mac with Apple Silicon
+    # on which homebrew's prefix is /opt/homebrew
+    include_dirs = '/opt/homebrew/include'
+
+    if os.path.isdir(include_dirs + os.path.sep + 'boost'):
+        if glob.glob('/opt/homebrew/lib/libboost*'):
+            return include_dirs, '/opt/homebrew/lib/'
 
     return None, None
 

src/lib/vina.h

@@ -33,9 +33,7 @@
 #include <boost/log/trivial.hpp>
 #include <boost/log/expressions.hpp>
 #include <boost/program_options.hpp>
-#include <boost/filesystem/fstream.hpp>
-#include <boost/filesystem/exception.hpp>
-#include <boost/filesystem/convenience.hpp> // filesystem::basename
+#include <boost/filesystem.hpp>
 #include <boost/thread/thread.hpp> // hardware_concurrency // FIXME rm ?
 #include <boost/algorithm/string.hpp>
 //#include <openbabel/mol.h>

src/split/split.cpp

@@ -28,9 +28,7 @@
 #include <fstream> //  getline?
 #include <cmath> // for ceila
 #include <boost/program_options.hpp>
-#include <boost/filesystem/fstream.hpp>
-#include <boost/filesystem/exception.hpp>
-#include <boost/filesystem/convenience.hpp> // filesystem::basename
+#include <boost/filesystem.hpp>
 
 #include "file.h"
 #include "parse_error.h"