awvwgk

awvwgk

# Maintainer: Sebastian Ehlert <awvwgk@disroot.org>

_realname=fortran_stdlib
pkgbase=mingw-w64-${_realname}
pkgname="${MINGW_PACKAGE_PREFIX}-${_realname}"
pkgver=0.1.0
pkgrel=1
arch=('any')
mingw_arch=('mingw32' 'mingw64' 'ucrt64')
pkgdesc="Fortran standard library (mingw-w64)"

awvwgk

# Maintainer: Sebastian Ehlert <awvwgk@disroot.org>

_pyname=fypp
_realname=fypp
pkgbase=mingw-w64-python-${_realname}
pkgname=("${MINGW_PACKAGE_PREFIX}-python-${_realname}")
provides=("${MINGW_PACKAGE_PREFIX}-python3-${_realname}")
conflicts=("${MINGW_PACKAGE_PREFIX}-python3-${_realname}")
replaces=("${MINGW_PACKAGE_PREFIX}-python3-${_realname}")
pkgver=3.1

awvwgk

# Maintainer: Sebastian Ehlert <awvwgk@disroot.org>

_realname=fpm
pkgbase=mingw-w64-${_realname}
pkgname="${MINGW_PACKAGE_PREFIX}-${_realname}-git"
pkgver=0.4.0
pkgrel=1
arch=('any')
mingw_arch=('mingw32' 'mingw64' 'ucrt64')
pkgdesc="Fortran package manager (mingw-w64)"

awvwgk

#!/usr/bin/env python

import sys
from ase.io.turbomole import read_turbomole_gradient
from ase.units import Bohr, Hartree

def get_data(path):
    try:
        with open(path) as fd:
            mol = read_turbomole_gradient(fd)

awvwgk

#!/usr/bin/awk -f

BEGIN {
   evtoau = 1.0 / 27.21138505
   aatoau = 1.0 / 0.52917726
   poscar = 0
   tag = 1
}

$1 ~ /Total/ && NF == 7 {

awvwgk

pgfortran -Mallocatable=03 bug3.f90
PGF90-S-0000-Internal compiler error. transform_call:Array Expression can't be here     168  (bug3.f90: 35)
Lowering Error: bad ast optype in expression [ast=163,asttype=12,datatype=0]
PGF90-F-0000-Internal compiler error. Errors in Lowering       1  (bug3.f90: 39)
PGF90/x86-64 Linux 19.10-0: compilation aborted

Known issue: https://www.pgroup.com/userforum/viewtopic.php?f=4&t=7635 Fixed in 20.1

awvwgk

! This is free and unencumbered software released into the public domain.
!
! Anyone is free to copy, modify, publish, use, compile, sell, or
! distribute this software, either in source code form or as a compiled
! binary, for any purpose, commercial or non-commercial, and by any
! means.
!
! In jurisdictions that recognize copyright laws, the author or authors
! of this software dedicate any and all copyright interest in the
! software to the public domain. We make this dedication for the benefit

awvwgk

BEGIN {
   print "BEGIN:VCALENDAR";
   print "VERSION:2.0";
   print "BEGIN:VEVENT";
   "date -u +'%Y%m%dT%H%M%SZ'" | getline datetime;
   print "CREATED:"datetime;
   description = "DESCRIPTION:"
}
/Amsterdam, Berlin, Rome, Stockholm, Vienna$/ {
   tzid = "Europe/Berlin";

awvwgk

!> implemenation of a list of atoms
module tbdef_atomlist
   implicit none
   public :: tb_atomlist
   public :: size, len, assignment(=), write(formatted), read(formatted)
   private

   character, parameter :: p_delimiter = ','
   character, parameter :: p_skip = '-'