sci-chemistry/acpype: remove unused patch
authorMichael Mair-Keimberger (asterix) <m.mairkeimberger@gmail.com>
Mon, 30 Jan 2017 16:54:16 +0000 (17:54 +0100)
committerDavid Seifert <soap@gentoo.org>
Tue, 31 Jan 2017 08:40:41 +0000 (09:40 +0100)
Closes: https://github.com/gentoo/gentoo/pull/3730

sci-chemistry/acpype/files/acpype.patch [deleted file]

diff --git a/sci-chemistry/acpype/files/acpype.patch b/sci-chemistry/acpype/files/acpype.patch
deleted file mode 100644 (file)
index 9354527..0000000
+++ /dev/null
@@ -1,37 +0,0 @@
-Index: acpype.py
-===================================================================
---- acpype.py  (revision 366)
-+++ acpype.py  (working copy)
-@@ -3020,32 +3020,6 @@
-         acMol2FileName = '%s_%s_%s.mol2' % (base, chargeType, atomType)
-         self.acMol2FileName = acMol2FileName
-         self.charmmBase = '%s_CHARMM' % base
--        # check for which version of antechamber
--        if 'amber10' in self.acExe:
--            if qprog == 'sqm':
--                self.printWarn("SQM is not implemented in AmberTools 1.2")
--                self.printWarn("Setting mopac for antechamber")
--                qprog = 'mopac'
--            elif qprog == 'divcon':
--                if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)):
--                    self.printWarn("DIVCON is not installed")
--                    self.printWarn("Setting mopac for antechamber")
--                    qprog = 'mopac'
--        elif 'amber11' in self.acExe:
--            if qprog == 'divcon':
--                self.printWarn("DIVCON is not implemented in AmberTools 1.3 anymore")
--                self.printWarn("Setting sqm for antechamber")
--                qprog = 'sqm'
--            elif qprog == 'mopac':
--                if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)):
--                    self.printWarn("MOPAC is not installed")
--                    self.printWarn("Setting sqm for antechamber")
--                    return None
--                    qprog = 'sqm'
--        else:
--            self.printWarn("Old version of antechamber. Strongly consider upgrading to AmberTools")
--            self.printWarn("Setting mopac for antechamber")
--            qprog = 'mopac'
-         self.qFlag = qDict[qprog]
-         self.outTopols = [outTopol]
-         if outTopol == 'all':