Skip to content

Commit 6ed6877

Browse files
ocefpafocefpaf
authored
Merge pull request conda-forge#6851 from kain88-de/pmda
add pmda package
2 parents ea445cd + 4891d6f commit 6ed6877

File tree

2 files changed

+396
-0
lines changed

2 files changed

+396
-0
lines changed

‎recipes/pmda/LICENSE

+345
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,345 @@
1+
==========================================================================
2+
Licenses of components of PMDA
3+
==========================================================================
4+
5+
6+
GNU GENERAL PUBLIC LICENSE
7+
Version 2, June 1991
8+
9+
Copyright (C) 1989, 1991 Free Software Foundation, Inc.
10+
51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
11+
Everyone is permitted to copy and distribute verbatim copies
12+
of this license document, but changing it is not allowed.
13+
14+
Preamble
15+
16+
The licenses for most software are designed to take away your
17+
freedom to share and change it. By contrast, the GNU General Public
18+
License is intended to guarantee your freedom to share and change free
19+
software--to make sure the software is free for all its users. This
20+
General Public License applies to most of the Free Software
21+
Foundation's software and to any other program whose authors commit to
22+
using it. (Some other Free Software Foundation software is covered by
23+
the GNU Library General Public License instead.) You can apply it to
24+
your programs, too.
25+
26+
When we speak of free software, we are referring to freedom, not
27+
price. Our General Public Licenses are designed to make sure that you
28+
have the freedom to distribute copies of free software (and charge for
29+
this service if you wish), that you receive source code or can get it
30+
if you want it, that you can change the software or use pieces of it
31+
in new free programs; and that you know you can do these things.
32+
33+
To protect your rights, we need to make restrictions that forbid
34+
anyone to deny you these rights or to ask you to surrender the rights.
35+
These restrictions translate to certain responsibilities for you if you
36+
distribute copies of the software, or if you modify it.
37+
38+
For example, if you distribute copies of such a program, whether
39+
gratis or for a fee, you must give the recipients all the rights that
40+
you have. You must make sure that they, too, receive or can get the
41+
source code. And you must show them these terms so they know their
42+
rights.
43+
44+
We protect your rights with two steps: (1) copyright the software, and
45+
(2) offer you this license which gives you legal permission to copy,
46+
distribute and/or modify the software.
47+
48+
Also, for each author's protection and ours, we want to make certain
49+
that everyone understands that there is no warranty for this free
50+
software. If the software is modified by someone else and passed on, we
51+
want its recipients to know that what they have is not the original, so
52+
that any problems introduced by others will not reflect on the original
53+
authors' reputations.
54+
55+
Finally, any free program is threatened constantly by software
56+
patents. We wish to avoid the danger that redistributors of a free
57+
program will individually obtain patent licenses, in effect making the
58+
program proprietary. To prevent this, we have made it clear that any
59+
patent must be licensed for everyone's free use or not licensed at all.
60+
61+
The precise terms and conditions for copying, distribution and
62+
modification follow.
63+
64+
GNU GENERAL PUBLIC LICENSE
65+
TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION
66+
67+
0. This License applies to any program or other work which contains
68+
a notice placed by the copyright holder saying it may be distributed
69+
under the terms of this General Public License. The "Program", below,
70+
refers to any such program or work, and a "work based on the Program"
71+
means either the Program or any derivative work under copyright law:
72+
that is to say, a work containing the Program or a portion of it,
73+
either verbatim or with modifications and/or translated into another
74+
language. (Hereinafter, translation is included without limitation in
75+
the term "modification".) Each licensee is addressed as "you".
76+
77+
Activities other than copying, distribution and modification are not
78+
covered by this License; they are outside its scope. The act of
79+
running the Program is not restricted, and the output from the Program
80+
is covered only if its contents constitute a work based on the
81+
Program (independent of having been made by running the Program).
82+
Whether that is true depends on what the Program does.
83+
84+
1. You may copy and distribute verbatim copies of the Program's
85+
source code as you receive it, in any medium, provided that you
86+
conspicuously and appropriately publish on each copy an appropriate
87+
copyright notice and disclaimer of warranty; keep intact all the
88+
notices that refer to this License and to the absence of any warranty;
89+
and give any other recipients of the Program a copy of this License
90+
along with the Program.
91+
92+
You may charge a fee for the physical act of transferring a copy, and
93+
you may at your option offer warranty protection in exchange for a fee.
94+
95+
2. You may modify your copy or copies of the Program or any portion
96+
of it, thus forming a work based on the Program, and copy and
97+
distribute such modifications or work under the terms of Section 1
98+
above, provided that you also meet all of these conditions:
99+
100+
a) You must cause the modified files to carry prominent notices
101+
stating that you changed the files and the date of any change.
102+
103+
b) You must cause any work that you distribute or publish, that in
104+
whole or in part contains or is derived from the Program or any
105+
part thereof, to be licensed as a whole at no charge to all third
106+
parties under the terms of this License.
107+
108+
c) If the modified program normally reads commands interactively
109+
when run, you must cause it, when started running for such
110+
interactive use in the most ordinary way, to print or display an
111+
announcement including an appropriate copyright notice and a
112+
notice that there is no warranty (or else, saying that you provide
113+
a warranty) and that users may redistribute the program under
114+
these conditions, and telling the user how to view a copy of this
115+
License. (Exception: if the Program itself is interactive but
116+
does not normally print such an announcement, your work based on
117+
the Program is not required to print an announcement.)
118+
119+
These requirements apply to the modified work as a whole. If
120+
identifiable sections of that work are not derived from the Program,
121+
and can be reasonably considered independent and separate works in
122+
themselves, then this License, and its terms, do not apply to those
123+
sections when you distribute them as separate works. But when you
124+
distribute the same sections as part of a whole which is a work based
125+
on the Program, the distribution of the whole must be on the terms of
126+
this License, whose permissions for other licensees extend to the
127+
entire whole, and thus to each and every part regardless of who wrote it.
128+
129+
Thus, it is not the intent of this section to claim rights or contest
130+
your rights to work written entirely by you; rather, the intent is to
131+
exercise the right to control the distribution of derivative or
132+
collective works based on the Program.
133+
134+
In addition, mere aggregation of another work not based on the Program
135+
with the Program (or with a work based on the Program) on a volume of
136+
a storage or distribution medium does not bring the other work under
137+
the scope of this License.
138+
139+
3. You may copy and distribute the Program (or a work based on it,
140+
under Section 2) in object code or executable form under the terms of
141+
Sections 1 and 2 above provided that you also do one of the following:
142+
143+
a) Accompany it with the complete corresponding machine-readable
144+
source code, which must be distributed under the terms of Sections
145+
1 and 2 above on a medium customarily used for software interchange; or,
146+
147+
b) Accompany it with a written offer, valid for at least three
148+
years, to give any third party, for a charge no more than your
149+
cost of physically performing source distribution, a complete
150+
machine-readable copy of the corresponding source code, to be
151+
distributed under the terms of Sections 1 and 2 above on a medium
152+
customarily used for software interchange; or,
153+
154+
c) Accompany it with the information you received as to the offer
155+
to distribute corresponding source code. (This alternative is
156+
allowed only for noncommercial distribution and only if you
157+
received the program in object code or executable form with such
158+
an offer, in accord with Subsection b above.)
159+
160+
The source code for a work means the preferred form of the work for
161+
making modifications to it. For an executable work, complete source
162+
code means all the source code for all modules it contains, plus any
163+
associated interface definition files, plus the scripts used to
164+
control compilation and installation of the executable. However, as a
165+
special exception, the source code distributed need not include
166+
anything that is normally distributed (in either source or binary
167+
form) with the major components (compiler, kernel, and so on) of the
168+
operating system on which the executable runs, unless that component
169+
itself accompanies the executable.
170+
171+
If distribution of executable or object code is made by offering
172+
access to copy from a designated place, then offering equivalent
173+
access to copy the source code from the same place counts as
174+
distribution of the source code, even though third parties are not
175+
compelled to copy the source along with the object code.
176+
177+
4. You may not copy, modify, sublicense, or distribute the Program
178+
except as expressly provided under this License. Any attempt
179+
otherwise to copy, modify, sublicense or distribute the Program is
180+
void, and will automatically terminate your rights under this License.
181+
However, parties who have received copies, or rights, from you under
182+
this License will not have their licenses terminated so long as such
183+
parties remain in full compliance.
184+
185+
5. You are not required to accept this License, since you have not
186+
signed it. However, nothing else grants you permission to modify or
187+
distribute the Program or its derivative works. These actions are
188+
prohibited by law if you do not accept this License. Therefore, by
189+
modifying or distributing the Program (or any work based on the
190+
Program), you indicate your acceptance of this License to do so, and
191+
all its terms and conditions for copying, distributing or modifying
192+
the Program or works based on it.
193+
194+
6. Each time you redistribute the Program (or any work based on the
195+
Program), the recipient automatically receives a license from the
196+
original licensor to copy, distribute or modify the Program subject to
197+
these terms and conditions. You may not impose any further
198+
restrictions on the recipients' exercise of the rights granted herein.
199+
You are not responsible for enforcing compliance by third parties to
200+
this License.
201+
202+
7. If, as a consequence of a court judgment or allegation of patent
203+
infringement or for any other reason (not limited to patent issues),
204+
conditions are imposed on you (whether by court order, agreement or
205+
otherwise) that contradict the conditions of this License, they do not
206+
excuse you from the conditions of this License. If you cannot
207+
distribute so as to satisfy simultaneously your obligations under this
208+
License and any other pertinent obligations, then as a consequence you
209+
may not distribute the Program at all. For example, if a patent
210+
license would not permit royalty-free redistribution of the Program by
211+
all those who receive copies directly or indirectly through you, then
212+
the only way you could satisfy both it and this License would be to
213+
refrain entirely from distribution of the Program.
214+
215+
If any portion of this section is held invalid or unenforceable under
216+
any particular circumstance, the balance of the section is intended to
217+
apply and the section as a whole is intended to apply in other
218+
circumstances.
219+
220+
It is not the purpose of this section to induce you to infringe any
221+
patents or other property right claims or to contest validity of any
222+
such claims; this section has the sole purpose of protecting the
223+
integrity of the free software distribution system, which is
224+
implemented by public license practices. Many people have made
225+
generous contributions to the wide range of software distributed
226+
through that system in reliance on consistent application of that
227+
system; it is up to the author/donor to decide if he or she is willing
228+
to distribute software through any other system and a licensee cannot
229+
impose that choice.
230+
231+
This section is intended to make thoroughly clear what is believed to
232+
be a consequence of the rest of this License.
233+
234+
8. If the distribution and/or use of the Program is restricted in
235+
certain countries either by patents or by copyrighted interfaces, the
236+
original copyright holder who places the Program under this License
237+
may add an explicit geographical distribution limitation excluding
238+
those countries, so that distribution is permitted only in or among
239+
countries not thus excluded. In such case, this License incorporates
240+
the limitation as if written in the body of this License.
241+
242+
9. The Free Software Foundation may publish revised and/or new versions
243+
of the General Public License from time to time. Such new versions will
244+
be similar in spirit to the present version, but may differ in detail to
245+
address new problems or concerns.
246+
247+
Each version is given a distinguishing version number. If the Program
248+
specifies a version number of this License which applies to it and "any
249+
later version", you have the option of following the terms and conditions
250+
either of that version or of any later version published by the Free
251+
Software Foundation. If the Program does not specify a version number of
252+
this License, you may choose any version ever published by the Free Software
253+
Foundation.
254+
255+
10. If you wish to incorporate parts of the Program into other free
256+
programs whose distribution conditions are different, write to the author
257+
to ask for permission. For software which is copyrighted by the Free
258+
Software Foundation, write to the Free Software Foundation; we sometimes
259+
make exceptions for this. Our decision will be guided by the two goals
260+
of preserving the free status of all derivatives of our free software and
261+
of promoting the sharing and reuse of software generally.
262+
263+
NO WARRANTY
264+
265+
11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY
266+
FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN
267+
OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES
268+
PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED
269+
OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF
270+
MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS
271+
TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE
272+
PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING,
273+
REPAIR OR CORRECTION.
274+
275+
12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
276+
WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR
277+
REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES,
278+
INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING
279+
OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED
280+
TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY
281+
YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER
282+
PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE
283+
POSSIBILITY OF SUCH DAMAGES.
284+
285+
END OF TERMS AND CONDITIONS
286+
287+
How to Apply These Terms to Your New Programs
288+
289+
If you develop a new program, and you want it to be of the greatest
290+
possible use to the public, the best way to achieve this is to make it
291+
free software which everyone can redistribute and change under these terms.
292+
293+
To do so, attach the following notices to the program. It is safest
294+
to attach them to the start of each source file to most effectively
295+
convey the exclusion of warranty; and each file should have at least
296+
the "copyright" line and a pointer to where the full notice is found.
297+
298+
<one line to give the program's name and a brief idea of what it does.>
299+
Copyright (C) <year> <name of author>
300+
301+
This program is free software; you can redistribute it and/or modify
302+
it under the terms of the GNU General Public License as published by
303+
the Free Software Foundation; either version 2 of the License, or
304+
(at your option) any later version.
305+
306+
This program is distributed in the hope that it will be useful,
307+
but WITHOUT ANY WARRANTY; without even the implied warranty of
308+
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
309+
GNU General Public License for more details.
310+
311+
You should have received a copy of the GNU General Public License
312+
along with this program; if not, write to the Free Software
313+
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
314+
315+
316+
Also add information on how to contact you by electronic and paper mail.
317+
318+
If the program is interactive, make it output a short notice like this
319+
when it starts in an interactive mode:
320+
321+
Gnomovision version 69, Copyright (C) year name of author
322+
Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
323+
This is free software, and you are welcome to redistribute it
324+
under certain conditions; type `show c' for details.
325+
326+
The hypothetical commands `show w' and `show c' should show the appropriate
327+
parts of the General Public License. Of course, the commands you use may
328+
be called something other than `show w' and `show c'; they could even be
329+
mouse-clicks or menu items--whatever suits your program.
330+
331+
You should also get your employer (if you work as a programmer) or your
332+
school, if any, to sign a "copyright disclaimer" for the program, if
333+
necessary. Here is a sample; alter the names:
334+
335+
Yoyodyne, Inc., hereby disclaims all copyright interest in the program
336+
`Gnomovision' (which makes passes at compilers) written by James Hacker.
337+
338+
<signature of Ty Coon>, 1 April 1989
339+
Ty Coon, President of Vice
340+
341+
This General Public License does not permit incorporating your program into
342+
proprietary programs. If your program is a subroutine library, you may
343+
consider it more useful to permit linking proprietary applications with the
344+
library. If this is what you want to do, use the GNU Library General
345+
Public License instead of this License.

‎recipes/pmda/meta.yaml

+51
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,51 @@
1+
{% set name = "pmda" %}
2+
{% set version = "0.1.1" %}
3+
4+
package:
5+
name: {{ name|lower }}
6+
version: {{ version }}
7+
8+
source:
9+
url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
10+
sha256: 90ffbfa4e4ac6617e7811cd57ada57687daa654fbb176b835aec0f8b3d38f85c
11+
12+
build:
13+
number: 0
14+
skip: True # [win]
15+
script: "{{ PYTHON }} -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv"
16+
17+
requirements:
18+
host:
19+
- python
20+
- pip
21+
run:
22+
- python
23+
- dask
24+
- mdanalysis>=0.19.0
25+
- joblib
26+
- six
27+
28+
test:
29+
imports:
30+
- pmda
31+
32+
about:
33+
home: http://github.com/MDAnalysis/pmda
34+
license: GPL-2.0
35+
license_family: GPL
36+
license_file: '{{ environ["RECIPE_DIR"] }}/LICENSE'
37+
summary: 'Parallel Molecular Dynamics Analysis tools'
38+
description: |
39+
Ready to use analysis and buildings blocks to write parallel analysis
40+
algorithms using MDAnalysis with dask. This project is alpha software
41+
and not API stable. It will and should rapidly evolve to test different
42+
approaches to implementing parallel analysis in a seamless and intuitive
43+
fashion.
44+
doc_url: https://www.mdanalysis.org/pmda/
45+
dev_url: https://github.com/MDAnalysis/pmda
46+
47+
extra:
48+
recipe-maintainers:
49+
- kain88-de
50+
- orbeckst
51+
- richardjgowers

0 commit comments

Comments
 (0)