Commit 216ad6fe authored by Andreas Tille's avatar Andreas Tille
Browse files

Fix opening of text file; replace scons calls by calls to Debian packaged scons.

parent f3f79c56
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+64 −11
Original line number Diff line number Diff line
@@ -333,6 +333,32 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
         numpy_error = True
 
     if not numpy_error:
@@ -234,9 +234,9 @@ if env['BUILD_PDB2PKA']:
         compile_targets.append(algorithms_pyc)
 
         if os.name == 'nt':
-            alg_msvs_env = env.Clone(MSVSBUILDCOM='cd .. && '+pythonBin+' scons/scons.py algorithms DEBUG=True',
-                                     MSVSCLEANCOM='cd .. && '+pythonBin+' scons/scons.py -c algorithms',
-                                     MSVSREBUILDCOM='cd .. && '+pythonBin+' scons/scons.py -c algorithms && '+pythonBin+' scons/scons.py algorithms DEBUG=True')
+            alg_msvs_env = env.Clone(MSVSBUILDCOM='cd .. && scons algorithms DEBUG=True',
+                                     MSVSCLEANCOM='cd .. && scons -c algorithms',
+                                     MSVSREBUILDCOM='cd .. && scons -c algorithms && scons algorithms DEBUG=True')
 
             algorithms_project = alg_msvs_env.MSVSProject(target = 'msvs/Algorithms' + env['MSVSPROJECTSUFFIX'],
                                                           auto_build_solution=0,
@@ -259,9 +259,9 @@ if env['BUILD_PDB2PKA']:
         compile_targets.append(pmc_pyc)
 
         if os.name == 'nt':
-            pmc_msvs_env = env.Clone(MSVSBUILDCOM='cd .. && '+pythonBin+' scons/scons.py pmc_mult DEBUG=True'+build_swig,
-                                     MSVSCLEANCOM='cd .. && '+pythonBin+' scons/scons.py -c pmc_mult',
-                                     MSVSREBUILDCOM='cd .. && '+pythonBin+' scons/scons.py -c pmc_mult && '+pythonBin+' scons/scons.py pmc_mult DEBUG=True'+build_swig)
+            pmc_msvs_env = env.Clone(MSVSBUILDCOM='cd .. && scons pmc_mult DEBUG=True'+build_swig,
+                                     MSVSCLEANCOM='cd .. && scons -c pmc_mult',
+                                     MSVSREBUILDCOM='cd .. && scons -c pmc_mult && scons pmc_mult DEBUG=True'+build_swig)
 
             pmc_mult_project = pmc_msvs_env.MSVSProject(target = 'msvs/pMC_mult' + env['MSVSPROJECTSUFFIX'],
                                                         auto_build_solution=0,
@@ -285,65 +285,65 @@ SConscript('SConscript-install.py', expo
 SConscript('SConscript-error.py')
 
@@ -385,7 +411,7 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
-        print
-        print 'Run "python scons/scons.py" to build pdb2pqr.'
+        print()
+        print('Run "python3 scons/scons.py" to build pdb2pqr.')
+        print('Run "scons" to build pdb2pqr.')
 
-    print
-    print 'The preferred way to configure the build is by editing the file', config_file
@@ -396,13 +422,13 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
+    print('The preferred way to configure the build is by editing the file', config_file)
+    print()
+    print('Run scons with the python3 that you intend to use with pdb2pqr.')
+    print('For example: "/usr/bin/python3 scons/scons.py" will setup pdb2pqr to be run with /usr/bin/python3')
+    print('For example: "scons" will setup pdb2pqr to be run with Debian default Python3 interpreter')
 
     if 'install' not in target_list:
-        print
-        print 'Run "python scons/scons.py install" to install pdb2pqr in', env['PREFIX']
+        print()
+        print('Run "python3 scons/scons.py install" to install pdb2pqr in', env['PREFIX'])
+        print('Run "scons install" to install pdb2pqr in', env['PREFIX'])
 
-    print
-    print 'Run "python scons/scons.py basic-test" for a basic functionality test'
@@ -418,16 +444,16 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
-    print 'VS project generation is not well supported in scons. Resulting projects should build using NMAKE but cannot be used for debugging.'
-    print 'The resulting projects will need to modified to use VS natively to compile the code or debug.'
+    print()
+    print('Run "python3 scons/scons.py basic-test" for a basic functionality test')
+    print('Run "python3 scons/scons.py advanced-test" for a single test of ligand and PROPKA support. Requires numpy and PDB2PKA support compiled.')
+    print('Run "python3 scons/scons.py complete-test" for a complete test of all functionality EXCEPT PDB2PKA. Requires numpy and PDB2PKA support compiled.')
+    print('Run "python3 scons/scons.py pdb2pka-test" for a test of PDB2PKA functionality.')
+    print('Run "scons basic-test" for a basic functionality test')
+    print('Run "scons advanced-test" for a single test of ligand and PROPKA support. Requires numpy and PDB2PKA support compiled.')
+    print('Run "scons complete-test" for a complete test of all functionality EXCEPT PDB2PKA. Requires numpy and PDB2PKA support compiled.')
+    print('Run "scons pdb2pka-test" for a test of PDB2PKA functionality.')
+    print('    Requires numpy, PDB2PKA support compiled AND the APBS python3 libraries compiled and installed in the pdb2pka directory.')
+
+    print()
+    print('To setup a web service create a symbolic link to', env['PREFIX'], 'that enables you to view', env['URL'],'after running "scons/scons.py install"')
+    print('To setup a web service create a symbolic link to', env['PREFIX'], 'that enables you to view', env['URL'],'after running "scons install"')
+    print()
+    print('Run "python3 scons/scons.py msvs" to build Visual Studio projects for the Algorithms and pMC_mult modules.')
+    print('Run "scons msvs" to build Visual Studio projects for the Algorithms and pMC_mult modules.')
+    print('VS project generation is not well supported in scons. Resulting projects should build using NMAKE but cannot be used for debugging.')
+    print('The resulting projects will need to modified to use VS natively to compile the code or debug.')
 
@@ -8468,7 +8494,18 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
 
     put('pdb2pqr.tgz', '~/')
     with settings(warn_only=True):
@@ -114,7 +114,7 @@ def deploy():
@@ -106,15 +106,15 @@ def deploy():
 
     with cd('~/tmp/'):
         run('tar -zxvf ~/pdb2pqr.tgz')
-        run(python+' scons/scons.py')
+        run('scons')
 
         if run_tests:
-            run(python+' scons/scons.py -j 4 pdb2pka-test')
-            run(python+' scons/scons.py -j 4 complete-test')
+            run('scons -j 4 pdb2pka-test')
+            run('scons -j 4 complete-test')
 
 
 def install_on_deployed():
@@ -8477,6 +8514,17 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
 
     with settings(warn_only=True):
         with cd('~/www/pdb2pqr'):
@@ -147,8 +147,8 @@ def install_on_deployed():
 #             configopts += ' PREFIX=/Users/d3k084/www/pdb2pqr/'
 #             configopts += ' URL=http://PT24098/d3k084/pdb2pqr'
 
-        run(python+' scons/scons.py ' + configopts)
-        run(python+' scons/scons.py install ' + configopts)
+        run('scons ' + configopts)
+        run('scons install ' + configopts)
 
 def build_binary_from_deploy():
     create_dist_folder()
@@ -190,11 +190,11 @@ def linux_bin_cross_platform_test():
 @runs_once
 def build_windows():
@@ -13658,7 +13706,12 @@ Last-Update: Thu, 12 Dec 2019 15:41:47 +0100
             if callable(v):
                 d[k] = env.subst(v())
             elif SCons.Util.is_String(v):
@@ -112,21 +112,21 @@ def CopySubAction(targetfile, sourcefile
@@ -108,25 +108,25 @@ def CopySubAction(targetfile, sourcefile
     1.2345 etc.
     """
     try:
-        f = open(sourcefile, 'rb')
+        f = open(sourcefile, 'r')
         contents = f.read()
         f.close()
     except: