From: Michael Mair-Keimberger (asterix) Date: Mon, 30 Jan 2017 16:54:16 +0000 (+0100) Subject: sci-chemistry/acpype: remove unused patch X-Git-Url: http://git.tremily.us/gitweb.cgi?a=commitdiff_plain;h=b9f23246c2edf82e3be7fb4c05f5eb9d03459840;p=gentoo.git sci-chemistry/acpype: remove unused patch Closes: https://github.com/gentoo/gentoo/pull/3730 --- diff --git a/sci-chemistry/acpype/files/acpype.patch b/sci-chemistry/acpype/files/acpype.patch deleted file mode 100644 index 9354527cc8a9..000000000000 --- a/sci-chemistry/acpype/files/acpype.patch +++ /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':